Glycoside
GD022977
Name:
NoneFormula:
C28H32O9SSmiles:
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1Aglycone:
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CO)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 544.62 | Num_heavy_atoms: | 38 |
| TPSA: | 142.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD06751
Formula: C22H22O4S
Smiles:
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CO)cc2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 382.48 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 3 |
