Glycoside
GD069025
Name:
NoneFormula:
C15H21O4N5SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC[C@H]4CCCS4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCC2CCCS2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.43 | Num_heavy_atoms: | 25 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD32713
Formula: C10H12N5S
Smiles:
C1=Nc2c(ncnc2NCC2CCCS2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.31 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
