Glycoside
GD158206
Name:
1,3,22-trihydroxy-12-oleanen-28-oic acid; (1α,3β,22β)-form, 3-o-β-d-glucopyranosideFormula:
C36H58O10Smiles:
CC1(C)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD62471
Formula: C30H48O5
Smiles:
CC1(C)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)CC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
