Glycoside
GD077740
Name:
NoneFormula:
C16H19O4N5SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCc4cccs4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2cccs2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 377.43 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD03766
Formula: C11H10N5S
Smiles:
C1=Nc2c(ncnc2NCCc2cccs2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 244.3 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
