Glycoside
GD007822
Name:
NoneFormula:
C36H32O6N2F2Cl2Smiles:
O=C(NCc1c(F)cccc1Cl)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc1c(F)cccc1ClAglycone:
Cc1ccccc1.Cc1ccccc1.NCc1c(F)cccc1Cl.NCc1c(F)cccc1ClSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 15 |
| MolWt: | 673.54 | Num_heavy_atoms: | 46 |
| TPSA: | 117.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD06331
Formula: C8H7NFCl
Smiles:
NCc1c(F)cccc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.59 | Num_heavy_atoms: | 10 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
