TPCN05129

Name Chebuloside ??
Molecular Formula C36H58O11
Molecular Weight 666.85
CAS Registry Number 149475-28-5
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Combretaceae Combretum quadrangulare Seeds 0.000311% Chem Pharm Bull (Tokyo) 48, 1114-1120 (2000) 10.1248/cpb.48.1114
Properties
HBA 11 HBD 8
HeavyAtoms 47 AlogP 1.41
TPSA 197.37 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6