TPCN05986

Name 3-O-(??-D-xylopyranosyl)-spergulagenin A
Molecular Formula C34H56O9
Molecular Weight 608.81
CAS Registry Number 1380422-30-9
SMILES CC(=O)C1(O)CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Molluginaceae Glinus oppositifolius Aerial parts 0.004000% Nat Prod Res . 2013 Apr;27(7):624-9 10.1080/14786419.2012.686907
Properties
HBA 9 HBD 6
HeavyAtoms 43 AlogP 2.56
TPSA 156.91 RotatableBonds 3
FractionCSP3 0.97 Rings 6
AromaticRings 0 AliphaticRings 6