Glycoside
GD025745
Name:
NoneFormula:
C18H28O8N6SSmiles:
CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](CC(C)C)OC)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1N=C[N]2.COC(CC(C)C)C(=O)NS(=O)(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 488.52 | Num_heavy_atoms: | 33 |
| TPSA: | 187.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD17039
Formula: C8H17O5NS
Smiles:
COC(CC(C)C)C(=O)NS(=O)(=O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 239.29 | Num_heavy_atoms: | 15 |
| TPSA: | 81.7 | NumAromaticRings: | 0 |
