Glycoside
GD034990
Name:
NoneFormula:
C21H22O6N6S2Smiles:
Nc1ncnc2c1c(SCc1cccc3ccccc13)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1C(SCc1cccc3ccccc13)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.58 | Num_heavy_atoms: | 35 |
| TPSA: | 188.7 | NumAromaticRings: | 4 |
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 |
AD22176
Formula: C16H12N5S
Smiles:
Nc1ncnc2c1C(SCc1cccc3ccccc13)=N[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 306.37 | Num_heavy_atoms: | 22 |
| TPSA: | 78.26 | NumAromaticRings: | 3 |
