TPCN02631

Name Pharboside C
Molecular Formula C27H44O11
Molecular Weight 544.64
CAS Registry Number 1152595-60-2
SMILES COC(=O)C1(C)CCCC2(C)C1C(O)C(O)C13CC(CCC21)C(CO)(OC1OC(CO)C(O)C(O)C1O)C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Convolvulaceae Pharbitis nil Seeds 0.000500% J Nat Prod 72, 1121-1127 (2009). 10.1021/np900101t
Properties
HBA 11 HBD 7
HeavyAtoms 38 AlogP -0.94
TPSA 186.37 RotatableBonds 5
FractionCSP3 0.96 Rings 5
AromaticRings 0 AliphaticRings 5