Glycoside
GD036205
Name:
NoneFormula:
C19H19O7N5SSmiles:
COc1ccccc1C#Cc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.COc1ccccc1C#Cc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 461.46 | Num_heavy_atoms: | 32 |
| TPSA: | 171.91 | 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 |
AD22861
Formula: C14H9ON4
Smiles:
COc1ccccc1C#Cc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 249.25 | Num_heavy_atoms: | 19 |
| TPSA: | 61.47 | NumAromaticRings: | 2 |
