Glycoside
GD034202
Name:
NoneFormula:
C16H18O8N6S2Smiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NS(=O)(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.49 | Num_heavy_atoms: | 32 |
| TPSA: | 208.85 | 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 |
AD21768
Formula: C11H8O2N5S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.29 | Num_heavy_atoms: | 19 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
