Glycoside
GD027093
Name:
NoneFormula:
C21H25O4N5SSmiles:
OC[C@@H]1OC(n2c(N3CCCC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc(CSc2ncnc3c2N=C(N2CCCC2)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.53 | Num_heavy_atoms: | 31 |
| TPSA: | 116.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD17834
Formula: C16H16N5S
Smiles:
c1ccc(CSc2ncnc3c2N=C(N2CCCC2)[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.41 | Num_heavy_atoms: | 22 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
