Glycoside
GD129175
Name:
Muracein BFormula:
C32H54O16N8Smiles:
CC(O)=NC(C=O)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O)C(O)C(O)COAglycone:
CCC(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)OSugarmoiety:
CC(O)=NC(C=O)C(OO)C(O)C(O)COOther Identifiers
Properties
| HBA: | 24 | RingCount: | 0 |
| HBD: | 15 | FractionCSP3: | 0.69 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 27 |
| MolWt: | 806.82 | Num_heavy_atoms: | 56 |
| TPSA: | 427.23 | NumAromaticRings: | 0 |
Unique Aglycone
AD52325
Formula: C24H41O10N7
Smiles:
CCC(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O| HBA: | 17 | RingCount: | 0 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 19 |
| MolWt: | 587.63 | Num_heavy_atoms: | 41 |
| TPSA: | 307.65 | NumAromaticRings: | 0 |
