Glycoside
GD001799
Name:
TURBINATINEFormula:
C27H34O9N2Smiles:
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)N2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1C(=CO)C(=O)OCAglycone:
C=CC1C(C(=CO)C(=O)OC)CC2c3[nH]c4ccccc4c3CCN2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.57 | Num_heavy_atoms: | 38 |
| TPSA: | 164.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD01762
Formula: C21H24O4N2
Smiles:
C=CC1C(C(=CO)C(=O)OC)CC2c3[nH]c4ccccc4c3CCN2C1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 368.43 | Num_heavy_atoms: | 27 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
