TPCN01885

Name Dihydrophaseic acid 4'-O-[6''-O-(4'''-hydroxy-3''', 5'''-dimethoxy) benzoyl)]-beta-D-glucopyranoside
Molecular Formula C30H40O14
Molecular Weight 624.64
CAS Registry Number 2596983-97-8
SMILES COc1cc(C(=O)OCC2OC(OC3CC4(C)COC(C)(C3)C4(O)C=CC(C)=CC(=O)O)C(O)C(O)C2O)cc(OC)c1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Rutaceae Zanthoxylum armatum Stems 0.000066% Nat Prod Res: 1-6.(2019) 10.1080/14786419.2019.1607332
Properties
HBA 14 HBD 6
HeavyAtoms 44 AlogP 0.67
TPSA 210.90 RotatableBonds 10
FractionCSP3 0.60 Rings 4
AromaticRings 1 AliphaticRings 3