TPCN03104

Name Scutebarbatines I
Molecular Formula C30H41NO8
Molecular Weight 543.66
CAS Registry Number 1039359-54-0
SMILES CCOC1CC2CC(C3(C)C(C)CC(OC(=O)c4cccnc4)C4(COC(C)=O)C3CCCC43CO3)OC2O1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Scutellaria barbata Whole plants 0.000063% Chem Pharm Bull (Tokyo) 56, 207-209 (2008). 10.1248/cpb.56.207
Properties
HBA 9 HBD 0
HeavyAtoms 39 AlogP 4.29
TPSA 105.71 RotatableBonds 7
FractionCSP3 0.77 Rings 6
AromaticRings 1 AliphaticRings 5