Glycoside
GD079041
Name:
NoneFormula:
C22H24O6Smiles:
CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1Aglycone:
Cc1ccccc1C(=O)CO.Cc1ccccc1C=OSugarmoiety:
COC1COC(C(O)O)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD36257
Formula: C9H10O2
Smiles:
Cc1ccccc1C(=O)CO| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD36258
Formula: C8H8O
Smiles:
Cc1ccccc1C=O| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
