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