Glycoside
GD039638
Name:
n-carboxyl-n-methyl-beta-muramic acidFormula:
C11H19O9NSmiles:
C[C@@H](O[C@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1N(C)C(=O)O)C(=O)OAglycone:
CC(O)C(=O)O.CNC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 156.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD00056
Formula: C3H6O3
Smiles:
CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD04971
Formula: C2H5O2N
Smiles:
CNC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
