Glycoside
GD124742
Name:
2,3,19-Trihydroxy-12-Oleanen-28-Oic Acid; (2α,3α,19α)-Form, 3-Ketone, 28-O-β-D-Glucopyranosyl EsterFormula:
C36H56O10Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC43C)C2C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC43C)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46911
Formula: C30H46O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC43C)C2C1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
