Glycoside
GD071180
Name:
NoneFormula:
C17H17O6N5Smiles:
O=C(Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1)c1ccccc1Aglycone:
O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.35 | Num_heavy_atoms: | 28 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD13498
Formula: C12H8O2N5
Smiles:
O=C(Nc1nc2c(c(=O)[nH]1)N=C[N]2)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.23 | Num_heavy_atoms: | 19 |
| TPSA: | 101.31 | NumAromaticRings: | 2 |
