Glycoside
GD011168
Name:
NoneFormula:
C20H19O5N4ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(-c4nncs4)nn3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc(-c2nncs2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.9 | Num_heavy_atoms: | 30 |
| TPSA: | 141.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD08560
Formula: C14H9N4ClS
Smiles:
Clc1ccccc1Cc1ccc(-c2nncs2)nn1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.76 | Num_heavy_atoms: | 19 |
| TPSA: | 51.56 | NumAromaticRings: | 3 |
