Glycoside
GD142040
Name:
Nikkomycin KzFormula:
C19H23O9N5Smiles:
NC(CC(O)c1ccccn1)C(O)=NC(C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1OAglycone:
NC(CC(O)c1ccccn1)C(O)=NCC(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.42 | Num_heavy_atoms: | 33 |
| TPSA: | 233.84 | NumAromaticRings: | 2 |
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 |
AD48814
Formula: C11H15O4N3
Smiles:
NC(CC(O)c1ccccn1)C(O)=NCC(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 253.26 | Num_heavy_atoms: | 18 |
| TPSA: | 129.03 | NumAromaticRings: | 1 |
