TPCN01648

Name 1beta-hydroxytorilolone 11-O-beta-D-glucopyranoside
Molecular Formula C21H34O9
Molecular Weight 430.49
CAS Registry Number 1248787-23-6
SMILES CC1=C2CC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)C(O)CC(C)C2(O)CC1=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Daucus carota Fruits 0.000233% Chem Pharm Bull (Tokyo) 58(1): 125-128.(2010) 10.1248/cpb.58.125
Properties
HBA 9 HBD 6
HeavyAtoms 30 AlogP -0.99
TPSA 156.91 RotatableBonds 4
FractionCSP3 0.86 Rings 3
AromaticRings 0 AliphaticRings 3