Glycoside
GD023423
Name:
NoneFormula:
C18H19O5N5SSmiles:
CC(=O)c1ccccc1Sc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(=O)c1ccccc1Sc1nc(N)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.45 | Num_heavy_atoms: | 29 |
| TPSA: | 156.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD15755
Formula: C13H10ON5S
Smiles:
CC(=O)c1ccccc1Sc1nc(N)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.32 | Num_heavy_atoms: | 20 |
| TPSA: | 95.33 | NumAromaticRings: | 2 |
