Glycoside
GD035677
Name:
NoneFormula:
C16H19O6N7S2Smiles:
Nc1ncnc2c1c(SCc1ccccn1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1C(SCc1ccccn1)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.51 | Num_heavy_atoms: | 31 |
| TPSA: | 201.59 | 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 |
AD22562
Formula: C11H9N6S
Smiles:
Nc1ncnc2c1C(SCc1ccccn1)=N[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.3 | Num_heavy_atoms: | 18 |
| TPSA: | 91.15 | NumAromaticRings: | 2 |
