Glycoside
GD092402
Name:
NoneFormula:
C18H26O5N6SSmiles:
C=CCCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCCOCAglycone:
C=CCCNC(=S)Nc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
COCCOC(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 438.51 | Num_heavy_atoms: | 30 |
| TPSA: | 135.81 | 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 |
AD40317
Formula: C10H11N6S
Smiles:
C=CCCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.31 | Num_heavy_atoms: | 17 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
