Glycoside
GD079060
Name:
NoneFormula:
C21H20O7Smiles:
CC(=O)O[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
CC(=O)OC1COC(CO)O1Other Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 88.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
