TPCN02694

Name 17-O-beta-D-glucopyranosyl-16alpha-ent-kauran-19-oic acid
Molecular Formula C26H42O8
Molecular Weight 482.61
CAS Registry Number 1202820-91-4
SMILES CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4COC1OC(CO)C(O)C(O)C1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula japonica Aerial parts 0.000375% Arch Pharm Res 32, 1369-1372 (2009). 10.1007/s12272-009-2004-5
Properties
HBA 8 HBD 5
HeavyAtoms 34 AlogP 1.92
TPSA 136.68 RotatableBonds 5
FractionCSP3 0.96 Rings 5
AromaticRings 0 AliphaticRings 5