Glycoside
GD015643
Name:
NoneFormula:
C18H30O6N6SSmiles:
CCCCN(CCCC)c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
CCCCN(CCCC)c1ncnc2c1N=C[N]2.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 458.54 | Num_heavy_atoms: | 31 |
| TPSA: | 165.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD11347
Formula: C13H20N5
Smiles:
CCCCN(CCCC)c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 246.34 | Num_heavy_atoms: | 18 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
