TPCN06072

Name Pharbitoside B
Molecular Formula C48H78O18
Molecular Weight 943.13
CAS Registry Number 1035597-76-2
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)C(O)CC7(C(=O)O)CCC56C)C4(C)C)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Convolvulaceae Ipomoea nil Seeds 0.001257% Chem Pharm Bull (Tokyo) . 2008 Feb;56(2):203-6 10.1248/cpb.56.203
Properties
HBA 18 HBD 11
HeavyAtoms 66 AlogP 0.70
TPSA 294.98 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8