TPCN01568

Name 11-O-acetyl-torilolone 8-O-beta-D-glucopyranoside
Molecular Formula C23H36O9
Molecular Weight 456.53
CAS Registry Number 1248787-19-0
SMILES CC(=O)OC(C)(C)C1CC2=C(C)C(=O)CC2C(C)CC1OC1OC(CO)C(O)C(O)C1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Daucus carota Fruits 0.000307% Chem Pharm Bull (Tokyo) 58(1): 125-128.(2010) 10.1248/cpb.58.125
Properties
HBA 9 HBD 4
HeavyAtoms 32 AlogP 0.46
TPSA 142.75 RotatableBonds 5
FractionCSP3 0.83 Rings 3
AromaticRings 0 AliphaticRings 3