TPCN02752

Name Pharboside D
Molecular Formula C26H42O11
Molecular Weight 530.61
CAS Registry Number 1152595-62-4
SMILES CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1C(O)C(O)C13CC(CCC21)C(O)(CO)C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Convolvulaceae Pharbitis nil Seeds 0.000300% J Nat Prod 72, 1121-1127 (2009). 10.1021/np900101t
Properties
HBA 11 HBD 8
HeavyAtoms 37 AlogP -1.59
TPSA 197.37 RotatableBonds 4
FractionCSP3 0.96 Rings 5
AromaticRings 0 AliphaticRings 5