Glycoside
GD100410
Name:
NoneFormula:
C23H30O5N5Smiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Aglycone:
NC(=O)C1=C(NC2=CC3CCC(C2)[NH+]3Cc2ccccc2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.52 | Num_heavy_atoms: | 33 |
| TPSA: | 147.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD42434
Formula: C18H21ON5
Smiles:
NC(=O)C1=C(NC2=CC3CCC(C2)[NH+]3Cc2ccccc2)[N]C=N1| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 323.4 | Num_heavy_atoms: | 24 |
| TPSA: | 86.02 | NumAromaticRings: | 1 |
