TPCN03008

Name 12S,13S -Hydroxyandrographilide
Molecular Formula C20H32O6
Molecular Weight 368.47
CAS Registry Number 1020673-18-0
SMILES C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC(O)C1C(=O)OCC1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Acanthaceae Andrographis paniculata Aerial parts 0.000106% J Nat Prod 71, 852-855 (2008). 10.1021/np0704452
Properties
HBA 6 HBD 4
HeavyAtoms 26 AlogP 1.01
TPSA 107.22 RotatableBonds 4
FractionCSP3 0.85 Rings 3
AromaticRings 0 AliphaticRings 3