Glycoside
GD031631
Name:
NoneFormula:
C13H16O6N8SSmiles:
Nc1ncnc2c1c(-c1ccn[nH]1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1C(c1ccn[nH]1)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.39 | Num_heavy_atoms: | 28 |
| TPSA: | 217.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD20362
Formula: C8H6N7
Smiles:
Nc1ncnc2c1C(c1ccn[nH]1)=N[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 15 |
| TPSA: | 106.94 | NumAromaticRings: | 2 |
