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 |