Glycoside
GD126943
Name:
Nikkomycin LxFormula:
C21H27O9N5Smiles:
CC(=O)c1cn(C2OC(C(N=C(O)C(N)C(C)C(O)c3ccccn3)C(=O)O)C(O)C2O)c(O)n1Aglycone:
CC(=O)C1=C[N]C(O)=N1.CC(C(N)C(O)=NCC(=O)O)C(O)c1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 493.47 | Num_heavy_atoms: | 35 |
| TPSA: | 233.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD51251
Formula: C12H17O4N3
Smiles:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccccn1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 267.29 | Num_heavy_atoms: | 19 |
| TPSA: | 129.03 | NumAromaticRings: | 1 |
AD51384
Formula: C5H5O2N2
Smiles:
CC(=O)C1=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.11 | Num_heavy_atoms: | 9 |
| TPSA: | 63.76 | NumAromaticRings: | 0 |
