Glycoside
GD033860
Name:
NoneFormula:
C24H19O4N3Cl2SSmiles:
OC[C@@H]1OC(n2c(SCc3ccccc3)nc3nc4cc(Cl)c(Cl)cc4cc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2cc3c(nc2cc1Cl)N=C(SCc1ccccc1)[N]3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.38 | Num_heavy_atoms: | 32 |
| TPSA: | 100.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD21585
Formula: C19H10N3Cl2S
Smiles:
Clc1cc2cc3c(nc2cc1Cl)N=C(SCc1ccccc1)[N]3| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 359.26 | Num_heavy_atoms: | 23 |
| TPSA: | 39.35 | NumAromaticRings: | 3 |
