Glycoside
GD038622
Name:
4-o-(4-o-sulfonyl-n-acetylglucosamininyl)-5-methylhydroxy-l-proline-taurineFormula:
C16H30O14N3S2Smiles:
CC(=O)N[C@H]1[C@H](O[C@@H]2C[C@@H](C(=O)NCCS(=O)(=O)O)[NH2+][C@H]2CO)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1OAglycone:
O=C(NCCS(=O)(=O)O)C1CC(O)C(CO)[NH2+]1.O=S(=O)(O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -6.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 552.56 | Num_heavy_atoms: | 35 |
| TPSA: | 271.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD24074
Formula: C8H17O6N2S
Smiles:
O=C(NCCS(=O)(=O)O)C1CC(O)C(CO)[NH2+]1| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 269.3 | Num_heavy_atoms: | 17 |
| TPSA: | 140.54 | NumAromaticRings: | 0 |
