Glycoside
GD002905
Name:
NoneFormula:
C12H22O27S8Smiles:
O=S(O)OC[C@@H]1O[C@H](O[C@@]2(COS(=O)O)O[C@H](COS(=O)O)[C@H](OS(=O)O)[C@H]2OS(=O)O)[C@H](OS(=O)O)[C@H](OS(=O)O)[C@H]1OS(=O)OAglycone:
COS(=O)O.COS(=O)O.COS(=O)OSugarmoiety:
O=S(O)OC1C(O)OC(OC2(O)OC(O)C(OS(=O)O)C2OS(=O)O)C(OS(=O)O)C1OS(=O)OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 21 |
| MolWt: | 854.82 | Num_heavy_atoms: | 47 |
| TPSA: | 399.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD02708
Formula: CH4O3S
Smiles:
COS(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
