Glycoside
GD009123
Name:
NoneFormula:
C16H17O5N5Smiles:
N=c1c2ncn(C3O[C@H](CO)[C@H](O)[C@H]3O)c2[nH]c(=O)n1-c1ccccc1Aglycone:
N=c1c2c([nH]c(=O)n1-c1ccccc1)[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.34 | Num_heavy_atoms: | 26 |
| TPSA: | 149.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD07189
Formula: C11H8ON5
Smiles:
N=c1c2c([nH]c(=O)n1-c1ccccc1)[N]C=N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.22 | Num_heavy_atoms: | 17 |
| TPSA: | 88.1 | NumAromaticRings: | 2 |
