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