Glycoside
GD019951
Name:
NoneFormula:
C28H30O10N2Smiles:
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(c1ccccc1)(c1ccccc1)C(Oc1nc(C)cc(C)n1)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.55 | Num_heavy_atoms: | 40 |
| TPSA: | 177.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD13847
Formula: C22H22O4N2
Smiles:
COC(c1ccccc1)(c1ccccc1)C(Oc1nc(C)cc(C)n1)C(=O)O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 378.43 | Num_heavy_atoms: | 28 |
| TPSA: | 81.54 | NumAromaticRings: | 3 |
