Glycoside
GD114289
Name:
Polyoxin KFormula:
C22H30O13N6Smiles:
CC=C1CN(C(=O)C(N=C(O)C(N)C(O)C(O)COC(=N)O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C1C(=O)OAglycone:
CC=C1CN(C(=O)CN=C(O)C(N)C(O)C(O)COC(=N)O)C1C(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -4.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 586.51 | Num_heavy_atoms: | 41 |
| TPSA: | 314.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD15478
Formula: C4H4O2N2
Smiles:
O=c1nc(O)cc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD44960
Formula: C14H22O8N4
Smiles:
CC=C1CN(C(=O)CN=C(O)C(N)C(O)C(O)COC(=N)O)C1C(=O)O| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.35 | Num_heavy_atoms: | 26 |
| TPSA: | 209.99 | NumAromaticRings: | 0 |
