TPCN05114

Name Quadranosides ??
Molecular Formula C36H58O11
Molecular Weight 666.85
CAS Registry Number 267001-54-7
SMILES CC1(CO)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Combretaceae Combretum quadrangulare Seeds 0.000391% J Nat Prod 63, 496-500 (2000) 10.1021/np990581+
Properties
HBA 11 HBD 8
HeavyAtoms 47 AlogP 1.41
TPSA 197.37 RotatableBonds 5
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6