TPCN03570

Name Hederasaponin C;3-O-a-L-rhamnopyranosyl-(1 ! 2)-a-L-arabinopyranosyl-30-norhederagenin-28-O-a-L-rhamnopyranosyl-(1 ! 4)-b-D-glucopyranosyl-(1 ! 6)-b-D-glucopyranosyl ester;Kizutasaponin K12;Pulsatilla saponin F;Saponin PK
Molecular Formula C59H96O26
Molecular Weight 1221.39
CAS Registry Number 14216-03-6
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(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 Clematis tibetana Aerial parts 0.122951% Chem Pharm Bull (Tokyo) . 2001 May;49(5):635-8 10.1248/cpb.49.635
Ranunculaceae Pulsatilla koreana Roots 0.003850% Molecules 18(5): 5306-5316. 10.3390/molecules18055306
Araliaceae Aralia elata Leaves 0.002463% Food Chem 138, 208-213 (2013). 10.1016/j.foodchem.2012.10.041
Araliaceae Aralia elata Leaves 0.000188% Food Chem 138, 208-213 (2013). 10.1016/j.foodchem.2012.10.041
Lardizabalaceae Stauntonia chinensis Stems 0.000051% J Asian Nat Prod Res. 2007. 9, 175-182. 10.1080/10286020500480787.
Properties
HBA 26 HBD 15
HeavyAtoms 85 AlogP -2.54
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10