TPCN04058

Name Kizuta saponin K10;3-O-??-L-arabinopyranosyl-hederagenin 28-O-??-L-rhamnopyranosyl-(1??4)-??-D-glucopyranosyl(1??6)-??-D-glucopyranoside;3-O-a-L-arabinopyranosyl-30-norhederagenin-28-O-a-L- rhamnopyranosyl-(1 ! 4)-b-D-glucopyranosyl-(1 ! 6)-b-D-glucopyranosyl ester;Cauloside D;Hederasaponin D
Molecular Formula C53H86O22
Molecular Weight 1075.25
CAS Registry Number 12672-45-6
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Anemone begoniifolia Whole plants 0.105000% J Asian Nat Prod Res 6(3): 211-215. 10.1080/10286020310001653264
Berberidaceae Caulophyllum thalictroides Roots 0.008000% J Agric Food Chem . 2001 Dec;49(12):5969-74 10.1021/jf010814e
Ranunculaceae Pulsatilla koreana Roots 0.000600% Molecules 18(5): 5306-5316. 10.3390/molecules18055306
Lardizabalaceae Stauntonia chinensis Stems 0.000341% J Asian Nat Prod Res. 2007. 9, 175-182. 10.1080/10286020500480787.
Fabaceae Glycyrrhiza uralensis Roots 0.000100% Planta Med 76, 1457-1463 (2010). 10.1055/s-0029-1240907
Properties
HBA 22 HBD 13
HeavyAtoms 75 AlogP -1.40
TPSA 353.90 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9