Glycoside
GD005395
Name:
NoneFormula:
C19H18O4N3ClSSmiles:
OC[C@@H]1O[C@H](n2ccc3c(SCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.88 | Num_heavy_atoms: | 27 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD04588
Formula: C14H9N3ClS
Smiles:
Clc1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.76 | Num_heavy_atoms: | 18 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
