Glycoside
GD022527
Name:
NoneFormula:
C23H29O4N5SSmiles:
OC[C@@H]1OC(n2c(NC3CCCCC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc(CSc2ncnc3c2N=C(NC2CCCCC2)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 471.58 | Num_heavy_atoms: | 33 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD15257
Formula: C18H20N5S
Smiles:
c1ccc(CSc2ncnc3c2N=C(NC2CCCCC2)[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.46 | Num_heavy_atoms: | 24 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
