Glycoside
GD134467
Name:
Polyoxin PFormula:
C18H26O11N4Smiles:
CC1=CN(C2OC(C(N=C(O)C(N)CC(O)COC(=N)O)C(=O)O)C(O)C2O)C(=O)CC1=OAglycone:
CC1=CNC(=O)CC1=O.N=C(O)OCC(O)CC(N)C(O)=NCC(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 474.42 | Num_heavy_atoms: | 33 |
| TPSA: | 256.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD53151
Formula: C8H15O6N3
Smiles:
N=C(O)OCC(O)CC(N)C(O)=NCC(=O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 249.22 | Num_heavy_atoms: | 17 |
| TPSA: | 169.45 | NumAromaticRings: | 0 |
AD54394
Formula: C6H7O2N
Smiles:
CC1=CNC(=O)CC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
