Glycoside
GD111474
Name:
NoneFormula:
C26H28O9S2Smiles:
Cc1ccc(S(=O)(=O)O[C@H]2CO[C@@H](OCc3ccccc3)[C@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]2O)cc1Aglycone:
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.OCc1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 548.64 | Num_heavy_atoms: | 37 |
| TPSA: | 125.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00419
Formula: C7H8O3S
Smiles:
Cc1ccc(S(=O)(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
