Glycoside
GD023345
Name:
NoneFormula:
C20H16O4N3ClSSmiles:
OC[C@@H]1O[C@H](n2c3ccc(Cl)cc3c3c(-c4cccs4)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc2c(c1)-c1c(ncnc1-c1cccs1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 417.87 | Num_heavy_atoms: | 28 |
| TPSA: | 100.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD15712
Formula: C15H7N3ClS
Smiles:
Clc1ccc2c(c1)-c1c(ncnc1-c1cccs1)[N]2| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.75 | Num_heavy_atoms: | 19 |
| TPSA: | 39.88 | NumAromaticRings: | 3 |
