Glycoside
GD091216
Name:
NoneFormula:
C16H22O6N6SSmiles:
CCOC(=O)CNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC)[C@@H](O)[C@H]1OAglycone:
CCOC(=O)CNC(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.46 | Num_heavy_atoms: | 29 |
| TPSA: | 160.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD34612
Formula: C10H11O3N6
Smiles:
CCOC(=O)CNC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.24 | Num_heavy_atoms: | 19 |
| TPSA: | 119.67 | NumAromaticRings: | 1 |
