TPCN05714

Name Gliricidoside B
Molecular Formula C49H76O20
Molecular Weight 985.13
CAS Registry Number 223678-31-7
SMILES CC(=O)OCC1OC(OC2C(=O)C3(C)CCC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC54C)C3CC2(C)C)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Gliricidia sepium Roots 0.003000% J Agric Food Chem. 1999 Apr;47(4):1537-40. 10.1021/jf9808731.
Properties
HBA 20 HBD 10
HeavyAtoms 69 AlogP 0.07
TPSA 318.12 RotatableBonds 10
FractionCSP3 0.90 Rings 8
AromaticRings 0 AliphaticRings 8