TPCN02877

Name 6-O-nicotinoyl-7-Oacetylscutebarbatine G
Molecular Formula C34H38N2O9
Molecular Weight 618.68
CAS Registry Number 1202356-57-7
SMILES CC(=O)OC1C(OC(=O)c2cccnc2)C2(C)C(C)=CCC(OC(=O)c3cccnc3)C2C2(C)CCC3(COC(=O)C3)OC12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Scutellaria barbata Whole plants 0.000187% Chem Pharm Bull (Tokyo) 55, 1218-1221 (2007). 10.1248/cpb.55.1218
Properties
HBA 11 HBD 0
HeavyAtoms 45 AlogP 4.41
TPSA 140.21 RotatableBonds 5
FractionCSP3 0.53 Rings 6
AromaticRings 2 AliphaticRings 4