Glycoside
GD091509
Name:
NoneFormula:
C18H23O4N7SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC4CCN(c5nccs5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCN(c3nccs3)CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.49 | Num_heavy_atoms: | 30 |
| TPSA: | 141.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD39940
Formula: C13H14N7S
Smiles:
C1=Nc2c(ncnc2NC2CCN(c3nccs3)CC2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.37 | Num_heavy_atoms: | 21 |
| TPSA: | 80.4 | NumAromaticRings: | 2 |
