Glycoside
GD102203
Name:
NoneFormula:
C20H32O6N6Smiles:
CCCC[C@H](C)NC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCCOCAglycone:
CCCCC(C)NC(=O)Nc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
COCCOC(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 452.51 | Num_heavy_atoms: | 32 |
| TPSA: | 152.88 | 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 |
AD43252
Formula: C12H17ON6
Smiles:
CCCCC(C)NC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 261.31 | Num_heavy_atoms: | 19 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
