Buddlenoid A

PubChem CID: 5315462

Connections displayed (default: 10).

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Compound Synonyms	buddlenoid A, 142750-32-1, [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-, ((2R,3S,4S,5R,6S)-6-(3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, (6-((3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid, (6-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid, CHEMBL449937, CHEBI:191758, DTXSID901317908, AKOS040761435, FS-8160, CS-0144128
Topological Polar Surface Area	213.0
Hydrogen Bond Donor Count	7.0
Heavy Atom Count	43.0
Isotope Atom Count	0.0
Molecular Complexity	1040.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Uniprot Id	O42713
Iupac Name	[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Prediction Hob	0.0
Xlogp	2.5
Molecular Formula	C30H26O13
Prediction Swissadme	0.0
Inchi Key	GVLNXQDHAFPPFW-HESOAOHTSA-N
Fcsp3	0.2
Logs	-4.336
Rotatable Bond Count	8.0
Logd	2.109
Compound Name	Buddlenoid A
Prediction Hob Swissadme	0.0
Exact Mass	594.137
Formal Charge	0.0
Monoisotopic Mass	594.137
Hydrogen Bond Acceptor Count	13.0
Molecular Weight	594.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	1.0
Esol	-4.567359651162793
Inchi	InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(34)40-13-21-24(35)26(37)28(39)30(43-21)41-18-11-19(33)23-20(12-18)42-29(27(38)25(23)36)15-4-8-17(32)9-5-15/h1-12,21,24,26,28,30-33,35,37-39H,13H2/b10-3+/t21-,24-,26+,28-,30-/m1/s1
Smiles	C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)O)O)O)O
Nring	5.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Actinidia Rubricaulis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aquilaria Agallocha (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aquilaria Agallochum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aquilaria Malaccensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
7. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Eschweilera Coriacea (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Gnaphalium Affine (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Gnaphalium Gaudichaudianum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Gnaphalium Indicum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Gnaphalium Oligandrum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Gnaphalium Pensylvanicum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Gnaphalium Polycaulon (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Gnaphalium Stewartii (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Iryanthera Coriacea (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Joannesia Princeps (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Kielmeyera Coriacea (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Litsea Coriacea (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Magnolia Acuminata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Magnolia Biloba (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Magnolia Biondii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
37. Outgoing r'ship FOUND_IN to/from Magnolia Cathcartii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Magnolia Champaca (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Magnolia Coco (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Magnolia Denudata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Magnolia Doltsopa (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Magnolia Fargesii (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Magnolia Figo (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Magnolia Fraseri (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Magnolia Henryi (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Magnolia Kingii (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Magnolia Kobus (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Magnolia Lanuginosa (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Magnolia Lilifera (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Magnolia Liliflora (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Magnolia Liliiflora (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Magnolia Montana (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Magnolia Mutabilis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Magnolia Obovata (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Magnolia Officinalis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Magnolia Ovata (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Magnolia Praecocissima (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Magnolia Pterocarpa (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Magnolia Rostrata (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Magnolia Salicifolia (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Magnolia Sieboldii (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Magnolia Sprengeri (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Magnolia Stellata (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Sarcococca Coriacea (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Terminalia Coriacea (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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Buddlenoid A

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Phytochemical Properties

Associated Connections 79

Plant Connections 79