Glycoside
GD015842
Name:
PARATUNAMIDE DFormula:
C26H32O11N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N(CC[C@]3(O)C(=O)Nc4ccccc43)[C@H](O)C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N(CCC3(O)C(=O)Nc4ccccc43)C(O)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.55 | Num_heavy_atoms: | 39 |
| TPSA: | 198.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD11464
Formula: C20H22O6N2
Smiles:
C=CC1C(O)OC=C2C(=O)N(CCC3(O)C(=O)Nc4ccccc43)C(O)CC21| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 119.33 | NumAromaticRings: | 1 |
