TPCN03156

Name Scutebarbatines L
Molecular Formula C33H41NO9
Molecular Weight 595.69
CAS Registry Number 1039359-57-3
SMILES CC(=O)OC(C(=O)OC1C(OC(=O)c2cccnc2)C2(C)C(C)=CCCC2C(C)(C=CC2=CC(=O)OC2)C1(C)O)C(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Scutellaria barbata Whole plants 0.000040% Chem Pharm Bull (Tokyo) 56, 207-209 (2008). 10.1248/cpb.56.207
Properties
HBA 10 HBD 1
HeavyAtoms 43 AlogP 4.28
TPSA 138.32 RotatableBonds 8
FractionCSP3 0.55 Rings 4
AromaticRings 1 AliphaticRings 3