Glycoside
GD155132
Name:
Polyoxin BFormula:
C17H25O13N5Smiles:
N=C(O)OCC(O)C(O)C(N)C(O)=NC(C(=O)O)C1OC(n2cc(CO)c(O)nc2=O)C(O)C1OAglycone:
N=C(O)OCC(O)C(O)C(N)C(O)=NCC(=O)O.O=c1nc(O)c(CO)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -4.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 507.41 | Num_heavy_atoms: | 35 |
| TPSA: | 314.72 | 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 |
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 |
