TPCN05401
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-allopyranosyl-(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);Clematomandshurica saponin D |
Molecular Formula | C83H136O44 |
Molecular Weight | 1837.96 |
CAS Registry Number | 916649-93-9 |
SMILES | CC1OC(OCC2OC(OC3C(CO)OC(OC4C(CO)OC(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 mandshurica | Roots | 0.004000% | 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 mandshurica | Roots | 0.001482% | J Asian Nat Prod Res. 2010. 12, 1061-1068. | 10.1080/10286020.2010.533661. |
Ranunculaceae | Clematis mandshurica | Roots | 0.000320% | J Nat Prod. 2006 Nov;69(11):1591-5. | 10.1021/np060287z. |
Properties
HBA | 44 | HBD | 25 |
HeavyAtoms | 127 | AlogP | -9.19 |
TPSA | 688.96 | RotatableBonds | 23 |
FractionCSP3 | 0.96 | Rings | 14 |
AromaticRings | 0 | AliphaticRings | 14 |