Glycoside
GD021739
Name:
NoneFormula:
C22H28O12SSmiles:
O=S(=O)(c1ccc2ccccc2c1)[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=[S](=O)c1ccc2ccccc2c1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.52 | Num_heavy_atoms: | 35 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD14814
Formula: C10H7O2S
Smiles:
O=[S](=O)c1ccc2ccccc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.23 | Num_heavy_atoms: | 13 |
| TPSA: | 34.14 | NumAromaticRings: | 2 |
