Glycoside
GD114599
Name:
Nikkomycin PxFormula:
C20H27O7N5Smiles:
CC(N=C(O)C(N)C(C)C(O)c1cccnc1)C1OC(n2cc(C=O)nc2O)C(O)C1OAglycone:
CCN=C(O)C(N)C(C)C(O)c1cccnc1.O=CC1=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 449.46 | Num_heavy_atoms: | 32 |
| TPSA: | 196.54 | 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 |
AD45154
Formula: C12H19O2N3
Smiles:
CCN=C(O)C(N)C(C)C(O)c1cccnc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 237.3 | Num_heavy_atoms: | 17 |
| TPSA: | 91.73 | NumAromaticRings: | 1 |
