Glycoside
GD034208
Name:
NoneFormula:
C21H21O6N2ClSSmiles:
Cc1ccc(-c2nnc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)o1Aglycone:
Cc1ccc(-c2nnc(Cc3ccccc3Cl)s2)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.92 | Num_heavy_atoms: | 30 |
| TPSA: | 129.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD21772
Formula: C15H11ON2ClS
Smiles:
Cc1ccc(-c2nnc(Cc3ccccc3Cl)s2)o1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.78 | Num_heavy_atoms: | 19 |
| TPSA: | 38.92 | NumAromaticRings: | 3 |
