TPCN00907

Name Onitioside A
Molecular Formula C21H30O9
Molecular Weight 426.46
CAS Registry Number 1207091-20-0
SMILES Cc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(COC1OC(CO)C(O)C(O)C1O)C2
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Dennstaedtiaceae Dennstaedtia scabra Aerial parts 0.012000% Chem Pharm Bull (Tokyo) 57(10): 1123-1125.(2009) 10.1248/cpb.57.1123
Properties
HBA 9 HBD 6
HeavyAtoms 30 AlogP -0.89
TPSA 156.91 RotatableBonds 6
FractionCSP3 0.67 Rings 3
AromaticRings 1 AliphaticRings 2