Hexandraside F

PubChem CID: 44259065

Connections displayed (default: 10).

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Compound Synonyms	Hexandraside F, LMPK12112014
Topological Polar Surface Area	313.0
Hydrogen Bond Donor Count	11.0
Heavy Atom Count	59.0
Isotope Atom Count	0.0
Molecular Complexity	1470.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Iupac Name	3-[(2S,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Prediction Hob	0.0
Xlogp	0.1
Molecular Formula	C39H50O20
Prediction Swissadme	0.0
Inchi Key	NLVBYGTTYRFJKH-TYSLGXSFSA-N
Fcsp3	0.5641025641025641
Logs	-3.86
Rotatable Bond Count	12.0
Logd	0.769
Compound Name	Hexandraside F
Prediction Hob Swissadme	0.0
Exact Mass	838.29
Formal Charge	0.0
Monoisotopic Mass	838.29
Hydrogen Bond Acceptor Count	20.0
Molecular Weight	838.8
Covalent Unit Count	1.0
Total Atom Stereocenter Count	15.0
Total Bond Stereocenter Count	0.0
Esol	-4.1279937661017
Inchi	InChI=1S/C39H50O20/c1-14(2)5-10-18-20(54-37-30(49)28(47)25(44)21(12-40)55-37)11-19(42)23-27(46)36(33(57-34(18)23)16-6-8-17(52-4)9-7-16)59-39-32(51)35(24(43)15(3)53-39)58-38-31(50)29(48)26(45)22(13-41)56-38/h5-9,11,15,21-22,24-26,28-32,35,37-45,47-51H,10,12-13H2,1-4H3/t15?,21?,22?,24-,25+,26+,28-,29?,30?,31?,32?,35-,37+,38-,39-/m0/s1
Smiles	CC1[C@@H]([C@@H](C([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O)O
Nring	6.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Abutilon Grandiflorum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aconitum Koreanum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aeollanthus Pubescens (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Astragalus Sempervirens (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Betula Pubescens (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Buxus Sempervirens (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Calystegia Pubescens (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Capnoides Sempervirens (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Cardiospermum Grandiflorum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Centrosema Pubescens (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Cinchona Pubescens (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Consolida Pubescens (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cupressus Sempervirens (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Doronicum Grandiflorum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Ehretia Pubescens (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Epimedium Acuminatum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Epimedium Brevicornu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
20. Outgoing r'ship FOUND_IN to/from Epimedium Brevicornum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Epimedium Davidii (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Epimedium Grandiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
24. Outgoing r'ship FOUND_IN to/from Epimedium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Epimedium Sagittatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
26. Outgoing r'ship FOUND_IN to/from Epimedium Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Epimedium Wanshanense (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Epimedium Wushanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
29. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Gelsemium Sempervirens (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Holarrhena Pubescens (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Iberis Sempervirens (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Ilex Pubescens (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Jasminum Grandiflorum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Kallstroemia Pubescens (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Metzgeria Pubescens (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Micromelum Pubescens (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Morinda Pubescens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Mussaenda Pubescens (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Nymphaea Pubescens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Peltogyne Pubescens (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Physalis Pubescens (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Pogostemon Pubescens (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Sequoia Sempervirens (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Sigesbeckia Pubescens (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Syringa Pubescens (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Vasconcellea Pubescens (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Veratrum Grandiflorum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Viburnum Grandiflorum (Plant) Rel Props:Reference:

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Hexandraside F

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Phytochemical Properties

Associated Connections 53

Plant Connections 53