Glycoside
GD135246
Name:
Oleanolic Acid 3-Glycosides; Triglycosides, 3-O-[α-L-Rhamnopyranosyl-(1->4)-β-D-Glucopyranosyl-(1->4)-β-D-Glucuronopyranoside]Formula:
C48H76O18Smiles:
CC1OC(OC2C(CO)OC(OC3C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)C)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(CO)OC(OC3C(C(=O)O)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.92 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 941.12 | Num_heavy_atoms: | 66 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00086
Formula: C30H48O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
