TPCN02613

Name Capsianoside XVI
Molecular Formula C62H104O35
Molecular Weight 1409.48
CAS Registry Number 919121-13-4
SMILES C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Solanaceae Capsicum annuum Fruits 0.000533% Chem Pharm Bull (Tokyo) 54, 1365-1369 (2006). 10.1248/cpb.54.1365
Properties
HBA 35 HBD 21
HeavyAtoms 97 AlogP -8.08
TPSA 554.05 RotatableBonds 30
FractionCSP3 0.87 Rings 7
AromaticRings 0 AliphaticRings 7