Glycoside
GD001214
Name:
NoneFormula:
C13H15O5N5Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cnc3c(OC)nc(N)nc32)[C@H]1OAglycone:
COc1nc(N)nc2c1N=C[N]2Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.29 | Num_heavy_atoms: | 23 |
| TPSA: | 148.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD01261
Formula: C6H6ON5
Smiles:
COc1nc(N)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
