Glycoside
GD132095
Name:
6-{[3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-(sulfooxy)oxan-4-yl]oxy}-3,4-dihydroxy-5-(sulfooxy)oxane-2-carboxylic acidFormula:
C14H23O18NS2Smiles:
CC(O)=NC1C(O)OC(CO)C(OS(=O)(=O)O)C1OC1OC(C(=O)O)C(O)C(O)C1OS(=O)(=O)OAglycone:
O=S(=O)(O)O.O=S(=O)(O)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(C(=O)O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.86 |
| AlogP: | -4.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 557.46 | Num_heavy_atoms: | 35 |
| TPSA: | 305.7 | 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 |
