TPCN04958

Name 3-O-b-D-glucopyranosyl-(1 ??2)-glucopyranosyl-22-O-b-D-glucopyranosylsteganogenin
Molecular Formula C48H78O19
Molecular Weight 959.13
CAS Registry Number 1643982-91-5
SMILES CC(C)(CCOC1OC(CO)C(O)C(O)C1O)CC1C(C(=O)O)=CCC2(C)C1=CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Eryngium kotschyi Roots 0.003500% Phytochemistry 110, 160-165 (2015) 10.1016/j.phytochem.2014.11.017
Properties
HBA 19 HBD 12
HeavyAtoms 67 AlogP -0.16
TPSA 315.21 RotatableBonds 14
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7