TPCN02830

Name 6,7-di-O-nicotinoylscutebarbatine G
Molecular Formula C38H39N3O9
Molecular Weight 681.74
CAS Registry Number 960302-84-5
SMILES CC1=CCC(OC(=O)c2cccnc2)C2C1(C)C(OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)C1(C)OC3(CCC21C)COC(=O)C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Scutellaria barbata Whole plants 0.000227% Chem Pharm Bull (Tokyo) 55, 1218-1221 (2007). 10.1248/cpb.55.1218
Properties
HBA 12 HBD 0
HeavyAtoms 50 AlogP 5.10
TPSA 153.10 RotatableBonds 6
FractionCSP3 0.45 Rings 7
AromaticRings 3 AliphaticRings 4