Glycoside
GD020019
Name:
NoneFormula:
C25H31O7N2Smiles:
COc1cc(C)cc2c1c(-c1ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc1)[n+]1n2CCCC1Aglycone:
COc1cc(C)cc2c1c(-c1ccc(O)cc1)[n+]1n2CCCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 471.53 | Num_heavy_atoms: | 34 |
| TPSA: | 117.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD13885
Formula: C19H21O2N2
Smiles:
COc1cc(C)cc2c1c(-c1ccc(O)cc1)[n+]1n2CCCC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 309.39 | Num_heavy_atoms: | 23 |
| TPSA: | 38.27 | NumAromaticRings: | 3 |
