TPCN02769

Name Graecumoside A
Molecular Formula C27H38O11
Molecular Weight 538.59
CAS Registry Number 1402046-67-6
SMILES C=C1CC23CC1(O)CCC2C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C(=O)OC)C1=C(O)C3=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Trigonella foenum-graecum Seeds 0.000291% Nat Prod Res 27, 1202-1207 (2013). 10.1080/14786419.2012.722087
Properties
HBA 11 HBD 6
HeavyAtoms 38 AlogP 0.02
TPSA 183.21 RotatableBonds 4
FractionCSP3 0.78 Rings 5
AromaticRings 0 AliphaticRings 5