Glycoside
GD010388
Name:
NoneFormula:
C21H21O4N5SSmiles:
OC[C@@H]1OC(n2c(-c3cccs3)nc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc(CNc2ncnc3c2N=C(c2cccs2)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.5 | Num_heavy_atoms: | 31 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD08031
Formula: C16H12N5S
Smiles:
c1ccc(CNc2ncnc3c2N=C(c2cccs2)[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.37 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
