Glycoside
GD077556
Name:
NoneFormula:
C18H19O5N5Smiles:
CO[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1OAglycone:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
COC1C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 385.38 | Num_heavy_atoms: | 28 |
| TPSA: | 131.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
