Glycoside
GD098900
Name:
NoneFormula:
C19H28O7N6SSmiles:
CCOC(=O)[C@@H](C)NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCCOCAglycone:
CCOC(=O)C(C)NC(=S)Nc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
COCCOC(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 484.54 | Num_heavy_atoms: | 33 |
| TPSA: | 162.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD38761
Formula: C11H13O2N6S
Smiles:
CCOC(=O)C(C)NC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 293.33 | Num_heavy_atoms: | 20 |
| TPSA: | 102.6 | NumAromaticRings: | 1 |
