Glycoside
GD129448
Name:
Nikkomycin OzFormula:
C19H23O10N5Smiles:
NC(CC(O)c1ccc(O)cn1)C(O)=NC(C(=O)O)C1OC(n2ccc(O)nc2=O)C(O)C1OAglycone:
NC(CC(O)c1ccc(O)cn1)C(O)=NCC(=O)O.O=c1nc(O)cc[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 481.42 | Num_heavy_atoms: | 34 |
| TPSA: | 254.07 | 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 |
AD51562
Formula: C11H15O5N3
Smiles:
NC(CC(O)c1ccc(O)cn1)C(O)=NCC(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 269.26 | Num_heavy_atoms: | 19 |
| TPSA: | 149.26 | NumAromaticRings: | 1 |
