Glycoside
GD005286
Name:
NoneFormula:
C16H19O4N5SSmiles:
C[C@]1(O)[C@H](CO)O[C@H](n2cnc3c(NCc4cccs4)ncnc32)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2cccs2)[N]1Sugarmoiety:
CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 377.43 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD04512
Formula: C10H8N5S
Smiles:
C1=Nc2c(ncnc2NCc2cccs2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.28 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
