Glycoside
GD016876
Name:
NoneFormula:
C22H22O5N3ClSSmiles:
Cc1ccc(-c2nnc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)cn1Aglycone:
Cc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 463.94 | Num_heavy_atoms: | 31 |
| TPSA: | 128.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD12100
Formula: C16H12N3ClS
Smiles:
Cc1ccc(-c2nnc(Cc3ccccc3Cl)s2)cn1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.8 | Num_heavy_atoms: | 20 |
| TPSA: | 38.67 | NumAromaticRings: | 3 |
