TPCN03521

Name Barbatin G
Molecular Formula C28H35NO9
Molecular Weight 529.59
CAS Registry Number 2305051-26-5
SMILES CC(=O)OC(CC1=C(O)C(=O)OC1)C1(C)C2CCC=C(C)C2(C)C(O)C(OC(=O)c2cccnc2)C1(C)O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Scutellaria barbata Whole plants 0.000118% None 10.1080/14786419.2018.1514399
Properties
HBA 10 HBD 3
HeavyAtoms 38 AlogP 2.79
TPSA 152.48 RotatableBonds 6
FractionCSP3 0.57 Rings 4
AromaticRings 1 AliphaticRings 3