Glycoside
GD079073
Name:
NoneFormula:
C22H24O6Smiles:
CO[C@@H]1C[C@@H](OC(=O)c2ccccc2C)[C@H](COC(=O)c2ccccc2C)O1Aglycone:
COC(=O)c1ccccc1C.Cc1ccccc1C(=O)OSugarmoiety:
COC1COC(CO)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 71.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD02209
Formula: C9H10O2
Smiles:
COC(=O)c1ccccc1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD36263
Formula: C8H8O2
Smiles:
Cc1ccccc1C(=O)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
