(2S,3R,4S,5S,6R)-2-[4-[[(3R,4S,5R)-3,4-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

PubChem CID: 11757377

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL488526
Topological Polar Surface Area	208.0
Hydrogen Bond Donor Count	8.0
Heavy Atom Count	39.0
Isotope Atom Count	0.0
Molecular Complexity	789.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Uniprot Id	P25099, P30543
Iupac Name	(2S,3R,4S,5S,6R)-2-[4-[[(3R,4S,5R)-3,4-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob	0.0
Xlogp	-1.0
Molecular Formula	C26H34O13
Prediction Swissadme	0.0
Inchi Key	LTWSTSXCASUIMQ-DMIPQKQBSA-N
Fcsp3	0.5384615384615384
Logs	-2.681
Rotatable Bond Count	9.0
Logd	-0.258
Compound Name	(2S,3R,4S,5S,6R)-2-[4-[[(3R,4S,5R)-3,4-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob Swissadme	0.0
Exact Mass	554.2
Formal Charge	0.0
Monoisotopic Mass	554.2
Hydrogen Bond Acceptor Count	13.0
Molecular Weight	554.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-2.3007713076923095
Inchi	InChI=1S/C26H34O13/c1-35-17-8-14(4-5-15(17)29)23-26(34,11-28)25(33,12-37-23)9-13-3-6-16(18(7-13)36-2)38-24-22(32)21(31)20(30)19(10-27)39-24/h3-8,19-24,27-34H,9-12H2,1-2H3/t19-,20-,21+,22-,23-,24-,25-,26+/m1/s1
Smiles	COC1=C(C=CC(=C1)C[C@]2(CO[C@@H]([C@]2(CO)O)C3=CC(=C(C=C3)O)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Althaea Officinalis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Althea Officinalis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Anchusa Officinalis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Asparagus Officinalis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Avcennia Officinalis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Avicennia Officinalis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Betonica Officinalis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Bistorta Officinalis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Boraga Officinalis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Borago Officinalis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Breynia Officinalis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Buddleja Officinalis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Calendula Officinalis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cinchona Officinalis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Cochlearia Officinalis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Cornus Officinalis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cubela Officinalis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Euodia Officinalis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Euphrasia Officinalis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Evodia Rutaecarpa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Fumaria Officinalis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Galega Officinalis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Galipea Officinalis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Gratiola Officinalis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Gynochthodes Officinalis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Kopsia Officinalis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Laricifomes Officinalis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Lavandula Officinalis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Magnolia Officinalis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Mandragora Officinalis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Melilotus Officinalis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Myristica Officinalis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Nauclea Officinalis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Paeonia Officinalis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Petasites Officinalis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Pimenta Officinalis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Pothos Officinalis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Pterocarpus Officinalis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Sanguisorba Officinalis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Saponaria Officinalis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Sassafras Officinalis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Scindapsus Officinalis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Valeriana Amurensis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Valeriana Cardamines (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Valeriana Dubia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Valeriana Fedtschenkoi (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Valeriana Hardwickii (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansii (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Valeriana Laxiflora (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Valeriana Leschenaultia (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Valeriana Microphylla (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
60. Outgoing r'ship FOUND_IN to/from Valeriana Wallichii (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Valeriana Wolgensis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:

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(2S,3R,4S,5S,6R)-2-[4-[[(3R,4S,5R)-3,4-dihydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Phytochemical Properties

Associated Connections 62

Plant Connections 62