Glycoside
GD002212
Name:
NoneFormula:
C20H17O4N3Cl2SSmiles:
OC[C@@H]1O[C@H](n2ccc3c(SCc4ccc(Cl)c(Cl)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(CSc2ncnc3c2C=C[N]3)cc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.32 | Num_heavy_atoms: | 28 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD02140
Formula: C15H8N3Cl2S
Smiles:
Clc1ccc(CSc2ncnc3c2C=C[N]3)cc1Cl| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.2 | Num_heavy_atoms: | 19 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
