Glycoside
GD140839
Name:
Polyoxin EFormula:
C17H23O13N5Smiles:
N=C(O)OCC(O)CC(N)C(O)=NC(C(=O)O)C1OC(n2cc(C(=O)O)c(O)nc2=O)C(O)C1OAglycone:
N=C(O)OCC(O)CC(N)C(O)=NCC(=O)O.O=C(O)c1c[nH]c(=O)nc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.39 | Num_heavy_atoms: | 35 |
| TPSA: | 311.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD52488
Formula: C5H4O4N2
Smiles:
O=C(O)c1c[nH]c(=O)nc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.1 | Num_heavy_atoms: | 11 |
| TPSA: | 103.28 | NumAromaticRings: | 1 |
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 |
