Glycoside
GD012552
Name:
NoneFormula:
C28H28O11NClSmiles:
CN1CC[C@H](c2c(O)cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1Aglycone:
CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 577.97 | Num_heavy_atoms: | 40 |
| TPSA: | 190.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD09456
Formula: C22H20O5NCl
Smiles:
CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 401.85 | Num_heavy_atoms: | 28 |
| TPSA: | 94.14 | NumAromaticRings: | 3 |
