Glycoside
GD031246
Name:
NoneFormula:
C18H18O7NClSSmiles:
O=C(O)c1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1Aglycone:
O=C(O)c1cnc(Cc2ccccc2Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.85 | Num_heavy_atoms: | 27 |
| TPSA: | 140.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD20144
Formula: C12H8O2NClS
Smiles:
O=C(O)c1cnc(Cc2ccccc2Cl)s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.71 | Num_heavy_atoms: | 16 |
| TPSA: | 50.19 | NumAromaticRings: | 2 |
