Glycoside
GD022070
Name:
NoneFormula:
C43H36O11NClSmiles:
CN(Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)C(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Aglycone:
CN(Cc1ccc(Cc2ccccc2Cl)cc1)C(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.21 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 766.2 | Num_heavy_atoms: | 55 |
| TPSA: | 198.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD15006
Formula: C37H26O6NCl
Smiles:
CN(Cc1ccc(Cc2ccccc2Cl)cc1)C(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1| HBA: | 7 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 7.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 604.06 | Num_heavy_atoms: | 44 |
| TPSA: | 108.05 | NumAromaticRings: | 4 |
