Glycoside
GD005008
Name:
NoneFormula:
C23H18O4N4Cl2SSmiles:
OC[C@@H]1OC(n2c(SCc3ccccc3)nc3nc4cc(Cl)c(Cl)cc4nc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2nc3c(nc2cc1Cl)N=C(SCc1ccccc1)[N]3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 493.37 | Num_heavy_atoms: | 32 |
| TPSA: | 113.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD04295
Formula: C18H9N4Cl2S
Smiles:
Clc1cc2nc3c(nc2cc1Cl)N=C(SCc1ccccc1)[N]3| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.25 | Num_heavy_atoms: | 23 |
| TPSA: | 52.24 | NumAromaticRings: | 3 |
