Glycoside
GD105486
Name:
NoneFormula:
C27H22O7NClSmiles:
Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(Cl)c2)cc1Aglycone:
Cc1ccc(C=O)cc1.Cc1ccc(C=O)cc1.Nc1cccc(Cl)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.92 | Num_heavy_atoms: | 35 |
| TPSA: | 119.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD01408
Formula: C8H8O
Smiles:
Cc1ccc(C=O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD21897
Formula: C7H6NCl
Smiles:
Nc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.57 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
