TPCN04910

Name Herniaria saponin B
Molecular Formula C65H102O33
Molecular Weight 1411.50
CAS Registry Number 189142-16-3
SMILES CC1OC(OC2C(O)COC(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(OC8OC(C)C(OC9OC(C(=O)O)C(O)C(O)C9O)C(O)C8O)C(C)(C(=O)O)C7CCC6(C)C4(C)CC5O)OC(C)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Herniaria fontanesii Aerial parts 0.007200% Adv Exp Med Biol 405, 241-245 (1996) 10.1007/978-1-4613-0413-5_21
Properties
HBA 33 HBD 18
HeavyAtoms 98 AlogP -4.54
TPSA 526.11 RotatableBonds 14
FractionCSP3 0.92 Rings 11
AromaticRings 0 AliphaticRings 11