Glycoside
GD141286
Name:
Polyoxin IFormula:
C17H22O9N4Smiles:
CC=C1CN(C(=O)C(N)C2OC(n3cc(CO)c(O)nc3=O)C(O)C2O)C1C(=O)OAglycone:
CC=C1CN(C(=O)CN)C1C(=O)O.O=c1nc(O)c(CO)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -3.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.38 | Num_heavy_atoms: | 30 |
| TPSA: | 208.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD48114
Formula: C5H6O3N2
Smiles:
O=c1nc(O)c(CO)c[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 86.21 | NumAromaticRings: | 1 |
AD56932
Formula: C8H12O3N2
Smiles:
CC=C1CN(C(=O)CN)C1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 83.63 | NumAromaticRings: | 0 |
