TPCN05961

Name Spergulacin A
Molecular Formula C41H68O12
Molecular Weight 752.98
CAS Registry Number 107602-90-4
SMILES CC(=O)C1(C)CCC2(C)C1C(O)CC1(C)C2C(O)CC2C3(C)CCC(OC4OCC(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Molluginaceae Glinus oppositifolius Aerial parts 0.006700% Nat Prod Res . 2013 Apr;27(7):624-9 10.1080/14786419.2012.686907
Properties
HBA 12 HBD 7
HeavyAtoms 53 AlogP 2.68
TPSA 195.60 RotatableBonds 5
FractionCSP3 0.98 Rings 7
AromaticRings 0 AliphaticRings 7