Glycoside
GD014787
Name:
NoneFormula:
C22H28O5N6SSmiles:
CC1(C)CC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CCS(N)(=O)=O)[C@H](O)[C@H]2O)c2ccccc21Aglycone:
CC1(C)CC(Nc2ncnc3c2N=C[N]3)c2ccccc21.CCS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.57 | Num_heavy_atoms: | 34 |
| TPSA: | 165.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD10833
Formula: C16H16N5
Smiles:
CC1(C)CC(Nc2ncnc3c2N=C[N]3)c2ccccc21| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.34 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD10834
Formula: C2H7O2NS
Smiles:
CCS(N)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
