Glycoside
GD029672
Name:
NoneFormula:
C21H21O5N2ClS2Smiles:
Cc1ccsc1-c1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
Cc1ccsc1-c1nnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.98 | Num_heavy_atoms: | 30 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD19279
Formula: C15H11N2ClS2
Smiles:
Cc1ccsc1-c1nnc(Cc2ccccc2Cl)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.84 | Num_heavy_atoms: | 19 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
