[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate

PubChem CID: 16216518

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL2268499
Topological Polar Surface Area	196.0
Hydrogen Bond Donor Count	7.0
Heavy Atom Count	53.0
Isotope Atom Count	0.0
Molecular Complexity	1490.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	17.0
Iupac Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate
Prediction Hob	0.0
Xlogp	2.8
Molecular Formula	C41H64O12
Prediction Swissadme	0.0
Inchi Key	FZAISUXFKLLWQD-CTMYKBMWSA-N
Fcsp3	0.8780487804878049
Logs	-4.246
Rotatable Bond Count	6.0
Logd	3.718
Compound Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate
Prediction Hob Swissadme	0.0
Exact Mass	748.44
Formal Charge	0.0
Monoisotopic Mass	748.44
Hydrogen Bond Acceptor Count	12.0
Molecular Weight	748.9
Covalent Unit Count	1.0
Total Atom Stereocenter Count	17.0
Total Bond Stereocenter Count	0.0
Esol	-5.851496200000004
Inchi	InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,23-35,42-48H,9-19H2,1-7H3/t23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1
Smiles	CC1=C([C@H]2C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)C)C
Nring	7.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aglaia Elliptica (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelonia Grandiflora (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Angelonia Salicariaefolia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelonia Sicariaefolia (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Ardisia Elliptica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Argyreia Elliptica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Berberis Integerrima (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Calliandra Eriophylla (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Calophyllum Tomentosum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Centrolobium Tomentosum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Chondrodendron Tomentosum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Clerodendrum Tomentosum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Crepidiastrum Sonchifolium (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cynoglossum Lanceolatum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Cynoglossum Officinale (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Derris Elliptica (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Dryopteris Aitoniana (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Dryopteris Arguta (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Dryopteris Austriaca (Plant) Rel Props:Reference:
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23. Outgoing r'ship FOUND_IN to/from Dryopteris Caucasica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Dryopteris Championii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Dryopteris Chrysocoma (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Dryopteris Cochleata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Dryopteris Crassirhizoma (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Dryopteris Crenata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Dryopteris Dilatata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Dryopteris Esquirolii (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Dryopteris Juxtaposita (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Dryopteris Marginata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Dryopteris Polylepis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Dryopteris Sacrosancta (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Dryopteris Schimperiana (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Dryopteris Sparsa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Euphrasia Officinale (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Garrya Elliptica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Guaiacum Officinale (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Gynura Elliptica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Halenia Elliptica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Hyssopus Officinale (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Jasminum Officinale (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Lettsomia Elliptica (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Levisticum Officinale (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Lithospermum Officinale (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Lychnophora Columnaris (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Lychnophora Pinaster (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Nasturtium Officinale (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Nerium Tomentosum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Ochna Integerrima (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Ochrosia Elliptica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Pistacia Integerrima (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Protium Ratum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Protium Serratum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Rhododendron Tomentosum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Salacia Elliptica (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Schoenocaulon Officinale (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Sideroxylon Cubense (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Sideroxylon Spinosum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Sideroxylon Tomentosum (Plant) Rel Props:Source_db:npass_chem_all
65. Outgoing r'ship FOUND_IN to/from Sisymbrium Officinale (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Solanum Lanceolatum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Sterculia Lychnophora (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Symphyotrichum Lanceolatum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Symphytum Officinale (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Taraxacum Bicorne (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Taraxacum Borealisinense (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Taraxacum Campylodes (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Taraxacum Coreanum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Taraxacum Formosanum (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Taraxacum Mongolicum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Taraxacum Obovatum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
78. Outgoing r'ship FOUND_IN to/from Taraxacum Platycarpum (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Taraxacum Sikkimensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Taraxacum Wigg (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Terminalia Alata (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Terminalia Arjuna (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Terminalia Bellirica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Terminalia Bialata (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Terminalia Brachystemma (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Terminalia Calamansanay (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Terminalia Catappa (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
89. Outgoing r'ship FOUND_IN to/from Terminalia Citrina (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Terminalia Coriacea (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Terminalia Crenulata (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Terminalia Elliptica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Terminalia Macroptera (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Terminalia Myriocarpa (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Terminalia Pallida (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Terminalia Procera (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Terminalia Travancorensis (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Trillium Camschatcense (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Trillium Camtschaticum (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Trillium Erectum (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Trillium Govanianum (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Trillium Tschonoskii (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Tripterospermum Lanceolatum (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Uncaria Elliptica (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:

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[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylate

Graph

Phytochemical Properties

Associated Connections 107

Plant Connections 107