3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

PubChem CID: 11968668

Connections displayed (default: 10).

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Topological Polar Surface Area	324.0
Hydrogen Bond Donor Count	12.0
Heavy Atom Count	53.0
Isotope Atom Count	0.0
Molecular Complexity	1280.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	15.0
Iupac Name	3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Prediction Hob	0.0
Xlogp	-2.7
Molecular Formula	C33H40O20
Prediction Swissadme	0.0
Inchi Key	AHMOLGSACSTQBR-LSKOLYRESA-N
Fcsp3	0.5454545454545454
Logs	-3.448
Rotatable Bond Count	9.0
Logd	-0.537
Compound Name	3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Prediction Hob Swissadme	0.0
Exact Mass	756.211
Formal Charge	0.0
Monoisotopic Mass	756.211
Hydrogen Bond Acceptor Count	20.0
Molecular Weight	756.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	15.0
Total Bond Stereocenter Count	0.0
Esol	-2.0754068264150987
Inchi	InChI=1S/C33H40O20/c1-10-19(38)22(41)25(44)31(47-10)52-29-17(9-35)51-33(27(46)24(29)43)53-30-21(40)18-14(37)6-13(48-32-26(45)23(42)20(39)16(8-34)50-32)7-15(18)49-28(30)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-20,22-27,29,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,22+,23-,24+,25+,26+,27+,29+,31-,32+,33-/m0/s1
Smiles	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=C(C=C6)O)CO)O)O)O
Nring	6.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Amelanchier Vulgaris (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aquilegia Vulgaris (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Bambusa Vulgaris (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Barbarea Vulgaris (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Beta Vulgaris (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Bridelia Crenulata (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Celastrus Angulatus (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Celastrus Dispermus (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Celastrus Flagellaris (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Celastrus Monospermus (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Celastrus Orbiculatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
15. Outgoing r'ship FOUND_IN to/from Celastrus Paniculatus (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Celastrus Scandens (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Celastrus Vulcanicola (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cephalaria Ambrosioides (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Chenopodium Ambrosioides (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Citrullus Vulgaris (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Cocculus Orbiculatus (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Dysphania Ambrosioides (Plant) Rel Props:Source_db:npass_chem_all
24. Outgoing r'ship FOUND_IN to/from Dysphania Botrys (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Equisetum Arvense (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Equisetum Debile (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Equisetum Diffusum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
29. Outgoing r'ship FOUND_IN to/from Equisetum Palustre (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
30. Outgoing r'ship FOUND_IN to/from Equisetum Pratense (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Equisetum Ramosissimum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Euphrasia Vulgaris (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Falcaria Vulgaris (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Gendarussa Vulgaris (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Hesperethusa Crenulata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Hippuris Vulgaris (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Hylotelephium Mingjinianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
38. Outgoing r'ship FOUND_IN to/from Hylotelephium Telephium (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Jacobaea Vulgaris (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Lagenaria Vulgaris (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Linaria Vulgaris (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Murraya Crenulata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Naringi Crenulata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Odontites Vulgaris (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Opuntia Vulgaris (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Peucedanum Palustre (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Phaseolus Aureus (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Phaseolus Coccineus (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Phaseolus Lunatus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Phaseolus Radiatus (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Phaseolus Semierectus (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Phaseolus Sublobatus (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Phaseolus Trilobus (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Phaseolus Urghii (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
56. Outgoing r'ship FOUND_IN to/from Picea Vulgaris (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Pinguicula Vulgaris (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Platostoma Palustre (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Polygala Vulgaris (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Ptelea Crenulata (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Pyracantha Crenulata (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Quamoclit Vulgaris (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Rhodiola Algida (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Rhodiola Atuntsuensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Rhodiola Coccinea (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
68. Outgoing r'ship FOUND_IN to/from Rhodiola Fastigiata (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Rhodiola Heterodonta (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Rhodiola Himalensis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Rhodiola Imbricata (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Rhodiola Kirilowii (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Rhodiola Krylovii (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Rhodiola Quadrifida (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Rhodiola Rosea (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Rhodiola Sacra (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Rhodiola Semenovii (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Rhodiola Sinuata (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Rhodiola Tibetica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Rhodiola Wallichiana (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Rhus Vulgaris (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Satureja Vulgaris (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Silene Vulgaris (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Syringa Vulgaris (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Terminalia Crenulata (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Tilia Vulgaris (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Utricularia Vulgaris (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Zizyphus Vulgaris (Plant) Rel Props:Reference:

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3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Graph

Phytochemical Properties

Associated Connections 90

Plant Connections 90