Glycoside
GD135463
Name:
Polyoxin JFormula:
C17H25O12N5Smiles:
Cc1cn(C2OC(C(N=C(O)C(N)C(O)C(O)COC(=N)O)C(=O)O)C(O)C2O)c(=O)nc1OAglycone:
Cc1c[nH]c(=O)nc1O.N=C(O)OCC(O)C(O)C(N)C(O)=NCC(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 491.41 | Num_heavy_atoms: | 34 |
| TPSA: | 294.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD08955
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD50548
Formula: C8H15O7N3
Smiles:
N=C(O)OCC(O)C(O)C(N)C(O)=NCC(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 265.22 | Num_heavy_atoms: | 18 |
| TPSA: | 189.68 | NumAromaticRings: | 0 |
