Glycoside
GD012631
Name:
NoneFormula:
C14H20O7N6SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N4CCOCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2N2CCOCC2)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 416.42 | Num_heavy_atoms: | 28 |
| TPSA: | 175.15 | 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 |
AD09442
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2N2CCOCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 64.71 | NumAromaticRings: | 1 |
