Glycoside
GD013636
Name:
NoneFormula:
C17H24O5N6SSmiles:
CN(C)C(=S)OC[C@@H]1OC(n2cnc3c(NC4CCOC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COC(=S)N(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.48 | Num_heavy_atoms: | 29 |
| TPSA: | 127.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD01177
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD10142
Formula: C4H9ONS
Smiles:
COC(=S)N(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.19 | Num_heavy_atoms: | 7 |
| TPSA: | 12.47 | NumAromaticRings: | 0 |
