TPCN03807

Name Hederagenin 3-O-c~-L-arabinopyranoside;3??-[(??-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid;Hederagenin 3-O-??-L-arabinopyranoside;Olean-12-en-28-oic acid, 3-(??-L-arabinopyranosyloxy)-23-hydroxy-, (3??,4??)- (9CI, ACI);Koelreuteria saponin A;Kizuta saponin K3;Scabioside A;Leontoside A
Molecular Formula C35H56O8
Molecular Weight 604.83
CAS Registry Number 17184-21-3
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Berberidaceae Caulophyllum thalictroides Aerial parts 0.039500% J Nat Prod 72(6): 1155-1160. 10.1021/np900164b
Berberidaceae Caulophyllum thalictroides Roots 0.009000% J Agric Food Chem . 2001 Dec;49(12):5969-74 10.1021/jf010814e
Ranunculaceae Pulsatilla koreana Roots 0.003750% Molecules 18(5): 5306-5316. 10.3390/molecules18055306
Verbenaceae Clerodendrum philippinum Whole plants 0.000600% Nat Prod Res 29, 1228-1234 (2015). 10.1080/14786419.2015.1023725
Verbenaceae Clerodendrum philippinum Whole plants 0.000300% Nat Prod Res 29, 1228-1234 (2015). 10.1080/14786419.2015.1023725
Apiaceae Bongardia chrysogonum Subterraneous stems 0.000280% J Nat Prod. 2000 Feb;63(2):251-3. 10.1021/np9801312
Caprifoliaceae Lonicera japonica Flowers 0.000230% Arch Pharm Res 30, 1-7 (2007) 10.1007/bf02977770
Verbenaceae Clerodendrum philippinum Whole plants 0.000220% Nat Prod Res 29, 1228-1234 (2015). 10.1080/14786419.2015.1023725
Ranunculaceae Anemone raddeana Subterraneous stems 0.000100% Nat Prod Res: 1-8. 10.1080/14786419.2019.1634708
Properties
HBA 8 HBD 5
HeavyAtoms 43 AlogP 4.67
TPSA 136.68 RotatableBonds 4
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6