Glycoside
GD016922
Name:
NoneFormula:
C21H22O5N3ClSSmiles:
Cn1cccc1-c1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
Cn1cccc1-c1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.93 | Num_heavy_atoms: | 30 |
| TPSA: | 120.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD12130
Formula: C15H12N3ClS
Smiles:
Cn1cccc1-c1nnc(Cc2ccccc2Cl)s1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.79 | Num_heavy_atoms: | 19 |
| TPSA: | 30.71 | NumAromaticRings: | 3 |
