Glycoside
GD010906
Name:
NoneFormula:
C42H34O11NClSmiles:
O=C(NCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1Aglycone:
O=C(NCc1ccc(Cc2ccccc2Cl)cc1)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: | 7 | FractionCSP3: | 0.2 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 752.17 | Num_heavy_atoms: | 54 |
| TPSA: | 206.99 | NumAromaticRings: | 4 |
Unique Aglycone
AD08366
Formula: C36H24O6NCl
Smiles:
O=C(NCc1ccc(Cc2ccccc2Cl)cc1)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 7.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.03 | Num_heavy_atoms: | 43 |
| TPSA: | 116.84 | NumAromaticRings: | 4 |
