TPCN05741

Name Olean-12-en-28-oic acid, 3-[[O-6-deoxy-??-L-mannopyranosyl-(1??6)-O-2-O-[(2E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxo-2-propen-1-yl]-??-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)
Molecular Formula C92H142O46
Molecular Weight 1984.10
CAS Registry Number 916649-91-7
SMILES COc1ccc(C=CC(=O)OC2C(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)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)cc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis mandshurica Roots 0.001360% J Nat Prod. 2006 Nov;69(11):1591-5. 10.1021/np060287z.
Properties
HBA 46 HBD 24
HeavyAtoms 138 AlogP -6.57
TPSA 704.26 RotatableBonds 26
FractionCSP3 0.87 Rings 15
AromaticRings 1 AliphaticRings 14