Glycoside
GD127651
Name:
Udp-N-Acetylmuramoyl-L-Alanyl-Gamma-D-Glutamyl-Meso-2,6-Diaminopimeloyl-D-Alanyl-D-AlanineFormula:
C41H65O28N9P2Smiles:
CC(O)=NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)OAglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O.COP(=O)(O)OP(=O)(O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
CC(O)=NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 37 | RingCount: | 3 |
| HBD: | 18 | FractionCSP3: | 0.68 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 31 |
| MolWt: | 1193.95 | Num_heavy_atoms: | 80 |
| TPSA: | 599.48 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD51692
Formula: C24H40O12N6
Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O| HBA: | 18 | RingCount: | 0 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 19 |
| MolWt: | 604.61 | Num_heavy_atoms: | 42 |
| TPSA: | 321.1 | NumAromaticRings: | 0 |
