Glycoside
GD077508
Name:
NoneFormula:
C16H17O4N5SSmiles:
OC[C@@H]1O[C@@H](n2cnc3c(SCc4ccccn4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2SCc2ccccn2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.41 | Num_heavy_atoms: | 26 |
| TPSA: | 126.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD35498
Formula: C11H8N5S
Smiles:
C1=Nc2c(ncnc2SCc2ccccn2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.29 | Num_heavy_atoms: | 17 |
| TPSA: | 65.13 | NumAromaticRings: | 2 |
