Glycoside
GD122400
Name:
6-{[3-acetamido-6-(hydroxymethyl)-2-methoxy-5-(sulfooxy)oxan-4-yl]oxy}-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acidFormula:
C16H27O15NSSmiles:
COC1OC(CO)C(OS(=O)(=O)O)C(OC2OC(C(=O)O)C(OC)C(O)C2O)C1N=C(C)OAglycone:
O=S(=O)(O)OSugarmoiety:
COC1OC(CO)C(O)C(OC2OC(C(=O)O)C(OC)C(O)C2O)C1N=C(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 505.45 | Num_heavy_atoms: | 33 |
| TPSA: | 240.33 | 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 |
