TPCN05780

Name 3-O-R-L-rhamnopyranosyl-(1f6)-[(3-O-isoferuloyl)-a-D-glucopyranosyl]-(1f4)-a-D-glucopyranosyl-(1f4)-a-D-ribopyranosyl-(1f3)-R-L-rhamnopyranosyl-(1f2)-R-L_x0002_arabinopyranosyloleanolic acid 28-O-R-L-rhamnopyranosyl-(1f4)-a-D-glucopyranosyl-(1f6)-a-D-glucopyranoside
Molecular Formula C92H142O46
Molecular Weight 1984.10
CAS Registry Number 916649-90-6
SMILES COc1ccc(C=CC(=O)OC2C(O)C(COC3OC(C)C(O)C(O)C3O)OC(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)C2O)cc1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Clematis mandshurica Roots 0.000500% 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