TPCN04234

Name Hemsgiganoside B
Molecular Formula C48H76O19
Molecular Weight 957.12
CAS Registry Number 203514-06-1
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Acanthopanax senticosus Fruits 0.004748% Chem Pharm Bull (Tokyo) 55(7): 1087-1089. 10.1248/cpb.55.1087
Ranunculaceae Anemone flaccida Subterraneous stems 0.000385% J Asian Nat Prod Res . 2014;16(9):910-21 10.1080/10286020.2014.954554
Properties
HBA 19 HBD 11
HeavyAtoms 67 AlogP 0.23
TPSA 312.05 RotatableBonds 9
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8