Glycoside
GD032868
Name:
PARATUNAMIDE AFormula:
C27H34O11N2Smiles:
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](OC)C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N(CCC3(O)C(=O)Nc4ccccc43)C(OC)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 562.57 | Num_heavy_atoms: | 40 |
| TPSA: | 187.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD21023
Formula: C21H24O6N2
Smiles:
C=CC1C(O)OC=C2C(=O)N(CCC3(O)C(=O)Nc4ccccc43)C(OC)CC21| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.43 | Num_heavy_atoms: | 29 |
| TPSA: | 108.33 | NumAromaticRings: | 1 |
