Glycoside
GD006600
Name:
NoneFormula:
C19H22O8N6SSmiles:
COc1ccccc1C(=O)NCc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.COc1ccccc1C(=O)NCc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.49 | Num_heavy_atoms: | 34 |
| 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 |
AD05450
Formula: C14H12O2N5
Smiles:
COc1ccccc1C(=O)NCc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.28 | Num_heavy_atoms: | 21 |
| TPSA: | 90.57 | NumAromaticRings: | 2 |
