Glycoside
GD098015
Name:
NoneFormula:
C18H28O6N6SSmiles:
COCCCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCCOCAglycone:
COCCCNC(=S)Nc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
COCCOC(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 456.53 | Num_heavy_atoms: | 31 |
| TPSA: | 145.04 | 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 |
AD34116
Formula: C10H13ON6S
Smiles:
COCCCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 265.32 | Num_heavy_atoms: | 18 |
| TPSA: | 85.53 | NumAromaticRings: | 1 |
