Glycoside
GD102123
Name:
NoneFormula:
C24H23O7N2ClSmiles:
C[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1Aglycone:
CC(N)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 474.9 | Num_heavy_atoms: | 33 |
| TPSA: | 149.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD43224
Formula: C18H15ON2Cl
Smiles:
CC(N)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.77 | Num_heavy_atoms: | 21 |
| TPSA: | 48.02 | NumAromaticRings: | 3 |
