Glycoside
GD017008
Name:
NoneFormula:
C12H15O6N5Smiles:
CO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc(=O)c21Aglycone:
Nc1nc(=O)c2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.28 | Num_heavy_atoms: | 23 |
| TPSA: | 165.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD12184
Formula: C6H4O2N5
Smiles:
Nc1nc(=O)c2c(c(=O)[nH]1)N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.13 | Num_heavy_atoms: | 13 |
| TPSA: | 115.3 | NumAromaticRings: | 1 |
