Glycoside
GD035049
Name:
NoneFormula:
C15H18O7N6S2Smiles:
Cc1occc1Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
COS(N)(=O)=O.Cc1occc1SC1=N[N]c2ncnc(N)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.48 | Num_heavy_atoms: | 30 |
| TPSA: | 201.84 | 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 |
AD22202
Formula: C10H8ON5S
Smiles:
Cc1occc1SC1=N[N]c2ncnc(N)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.28 | Num_heavy_atoms: | 17 |
| TPSA: | 91.4 | NumAromaticRings: | 2 |
