TPCN02323

Name Canavalioside
Molecular Formula C26H42O12
Molecular Weight 546.61
CAS Registry Number 316141-31-8
SMILES CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(O)(CCC21)C(O)(COC1OC(CO)C(O)C(O)C1O)C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Canavalia gladiata Seeds 0.002644% Chem Pharm Bull (Tokyo) 48, 1673-1680 (2000). 10.1248/cpb.48.1673
Properties
HBA 12 HBD 9
HeavyAtoms 38 AlogP -1.91
TPSA 217.60 RotatableBonds 5
FractionCSP3 0.96 Rings 5
AromaticRings 0 AliphaticRings 5