Glycoside
GD141950
Name:
Muracein BFormula:
C32H54O16N8Smiles:
CC(O)=NC1C(O)OC(CO)C(O)C1OC(C)C(O)=NC(C)C(=O)N(C(=O)C(C)N=C(O)C(N)CCC(C(=O)CCC(N)C(=O)O)C(N)C(=N)O)C(C)C(=O)OAglycone:
CC(O)C(O)=NC(C)C(=O)N(C(=O)C(C)N=C(O)C(N)CCC(C(=O)CCC(N)C(=O)O)C(N)C(=N)O)C(C)C(=O)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 1 |
| HBD: | 16 | FractionCSP3: | 0.72 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 22 |
| MolWt: | 806.82 | Num_heavy_atoms: | 56 |
| TPSA: | 428.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD57147
Formula: C24H41O11N7
Smiles:
CC(O)C(O)=NC(C)C(=O)N(C(=O)C(C)N=C(O)C(N)CCC(C(=O)CCC(N)C(=O)O)C(N)C(=N)O)C(C)C(=O)O| HBA: | 18 | RingCount: | 0 |
| HBD: | 13 | FractionCSP3: | 0.67 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 18 |
| MolWt: | 603.63 | Num_heavy_atoms: | 42 |
| TPSA: | 336.6 | NumAromaticRings: | 0 |
