Glycoside
GD114425
Name:
Nikkomycin WxFormula:
C19H22O9N4Smiles:
NC(Cc1ccc(O)cc1)C(O)=NC(C(=O)O)C1OC(n2cc(C=O)nc2O)C(O)C1OAglycone:
NC(Cc1ccc(O)cc1)C(O)=NCC(=O)O.O=CC1=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 220.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD11626
Formula: C4H3O2N2
Smiles:
O=CC1=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 63.76 | NumAromaticRings: | 0 |
AD45050
Formula: C11H14O4N2
Smiles:
NC(Cc1ccc(O)cc1)C(O)=NCC(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 116.14 | NumAromaticRings: | 1 |
