TPCN04175

Name Olean-12-en-28-oic acid, 3-[(O-6-deoxy-??-L-mannopyranosyl-(1??6)-O-??-D-glucopyranosyl-(1??4)-O-??-D-glucopyranosyl-(1??4)-O-??-D-ribopyranosyl-(1??3)-O-6-deoxy-??-L-mannopyranosyl-(1??2)-??-L-arabinopyranosyl)oxy]-, O-6-deoxy-??-L-mannopyranosyl-(1??4)-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranosyl ester, (3??)- (9CI, ACI);Clematichinenoside AR
Molecular Formula C82H134O43
Molecular Weight 1807.93
CAS Registry Number 761425-93-8
SMILES CC1OC(OCC2OC(OC3C(CO)OC(OC4COC(OC5C(O)C(C)OC(OC6C(OC7CCC8(C)C(CCC9(C)C8CC=C8C%10CC(C)(C)CCC%10(C(=O)OC%10OC(COC%11OC(CO)C(OC%12OC(C)C(O)C(O)C%12O)C(O)C%11O)C(O)C(O)C%10O)CCC89C)C7(C)C)OCC(O)C6O)C5O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis chinensis Roots 0.240000% J Asian Nat Prod Res 11(5): 389-396. 10.1080/10286020902867268
Ranunculaceae Clematis mandshurica Roots 0.025600% J Nat Prod. 2006 Nov;69(11):1591-5. 10.1021/np060287z.
Ranunculaceae Clematis mandshurica Roots 0.011000% J Chromatogr B Analyt Technol Biomed Life Sci. 2007 Jun 1;852(1-2):679-83. 10.1016/j.jchromb.2007.02.056.
Properties
HBA 43 HBD 24
HeavyAtoms 125 AlogP -8.55
TPSA 668.73 RotatableBonds 22
FractionCSP3 0.96 Rings 14
AromaticRings 0 AliphaticRings 14