Glycoside
GD031185
Name:
NoneFormula:
C18H20O8N6SSmiles:
COc1ccccc1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.COc1ccccc1C(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.46 | Num_heavy_atoms: | 33 |
| TPSA: | 201.01 | 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 |
AD20108
Formula: C13H10O2N5
Smiles:
COc1ccccc1C(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
