Glycoside
GD113993
Name:
NoneFormula:
C33H34O7SSmiles:
Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)CO[C@H]2OCc2ccccc2)cc1Aglycone:
Cc1ccc(S(=O)(=O)O)cc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 574.7 | Num_heavy_atoms: | 41 |
| TPSA: | 80.29 | NumAromaticRings: | 4 |
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 |
