Glycoside
GD131761
Name:
5-acetamido-3,4-dihydroxy-6-{[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methyl}oxane-2-carboxylic acidFormula:
C15H25O12NSmiles:
CC(O)=NC1C(COCC2OC(O)C(O)C(O)C2O)OC(C(=O)O)C(O)C1OAglycone:
COCC1OC(C(=O)O)C(O)C(O)C1N=C(C)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | -4.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 411.36 | Num_heavy_atoms: | 28 |
| TPSA: | 218.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD53368
Formula: C10H17O7N
Smiles:
COCC1OC(C(=O)O)C(O)C(O)C1N=C(C)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.25 | Num_heavy_atoms: | 18 |
| TPSA: | 128.81 | NumAromaticRings: | 0 |
