Glycoside
GD105873
Name:
NoneFormula:
C13H40O35S8Smiles:
OS(O)(O)CO[C@@H]1[C@H](O[C@@]2(COS(O)(O)O)O[C@@H](COS(O)(O)O)[C@H](OS(O)(O)O)[C@H]2OS(O)(O)O)O[C@@H](COS(O)(O)O)[C@H](OS(O)(O)O)[C@H]1OS(O)(O)OAglycone:
COS(O)(O)O.COS(O)(O)O.COS(O)(O)O.OCS(O)(O)O.OS(O)(O)O.OS(O)(O)O.OS(O)(O)O.OS(O)(O)OSugarmoiety:
OCC1OC(OC2(O)OC(O)OC2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 2 |
| HBD: | 24 | FractionCSP3: | 1.0 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 22 |
| MolWt: | 1012.96 | Num_heavy_atoms: | 56 |
| TPSA: | 587.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD24829
Formula: H4O4S
Smiles:
OS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 100.09 | Num_heavy_atoms: | 5 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
AD42310
Formula: CH6O4S
Smiles:
OCS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
