TPCN04331

Name Clematomandshurica saponin C;Olean-12-en-28-oic acid, 3-[(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??)- (ACI);Clematiunicinoside E
Molecular Formula C76H124O39
Molecular Weight 1661.79
CAS Registry Number 916649-92-8
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(OC%10OC(CO)C(OC%11OC(CO)C(O)C(O)C%11O)C(O)C%10O)C(O)C9O)C8O)C(C)(C)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 mandshurica Roots 0.006000% J Chromatogr B Analyt Technol Biomed Life Sci. 2007 Jun 1;852(1-2):679-83. 10.1016/j.jchromb.2007.02.056.
Ranunculaceae Clematis uncinata Roots 0.001550% Chem Pharm Bull (Tokyo) 62(1): 35-44. 10.1248/cpb.c13-00269
Ranunculaceae Clematis mandshurica Roots 0.001392% J Asian Nat Prod Res. 2010. 12, 1061-1068. 10.1080/10286020.2010.533661.
Ranunculaceae Clematis mandshurica Roots 0.001040% J Nat Prod. 2006 Nov;69(11):1591-5. 10.1021/np060287z.
Ranunculaceae Clematis chinensis Roots 0.000800% J Asian Nat Prod Res 11(5): 389-396. 10.1080/10286020902867268
Ranunculaceae Clematis mandshurica Roots 0.000619% Chin J Nat Med. 2018. 16, 131-138. 10.1016/S1875-5364(18)30039-6
Properties
HBA 39 HBD 22
HeavyAtoms 115 AlogP -7.41
TPSA 609.81 RotatableBonds 20
FractionCSP3 0.96 Rings 13
AromaticRings 0 AliphaticRings 13