Glycoside
GD040286
Name:
uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine-d-glutamateFormula:
C28H43O23N5P2Smiles:
CC(=O)N[C@H]1[C@@H](O[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@@H](O)[C@@H]1O[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)OAglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O.COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC(=O)NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.68 |
| AlogP: | -5.3 | Num_rotatable_bonds: | 20 |
| MolWt: | 879.61 | Num_heavy_atoms: | 58 |
| TPSA: | 427.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD13111
Formula: C11H18O7N2
Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 290.27 | Num_heavy_atoms: | 20 |
| TPSA: | 153.03 | NumAromaticRings: | 0 |
