TPCN06316
Name | Brachyposide B |
Molecular Formula | C70H112O38 |
Molecular Weight | 1561.63 |
CAS Registry Number | 1198082-87-9 |
SMILES | CC1OC(OC2C(O)C(CO)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Araliaceae | Acanthopanax brachypus | Barks | 0.000044% | Chem Pharm Bull (Tokyo) . 2009 Sep;57(9):1000-3 | 10.1248/cpb.57.1000 |
Properties
HBA | 38 | HBD | 22 |
HeavyAtoms | 108 | AlogP | -8.22 |
TPSA | 608.42 | RotatableBonds | 20 |
FractionCSP3 | 0.94 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |