Glycoside
GD037713
Name:
4-s-(6-o-phosphono-alpha-l-idopyranosyl)-4-thio-beta-d-glucopyranoseFormula:
C12H23O13PSSmiles:
O=P(O)(O)OC[C@H]1O[C@H](S[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1SC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -4.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.34 | Num_heavy_atoms: | 27 |
| TPSA: | 226.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
