Glycoside
GD028345
Name:
NoneFormula:
C27H34O11N2Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](O)CN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@@H]12Aglycone:
COC(=O)C1=COC(O)C2C(O)CN3CCC4(C(=O)Nc5ccccc54)C3CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.57 | Num_heavy_atoms: | 40 |
| TPSA: | 187.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD18536
Formula: C21H24O6N2
Smiles:
COC(=O)C1=COC(O)C2C(O)CN3CCC4(C(=O)Nc5ccccc54)C3CC12| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 400.43 | Num_heavy_atoms: | 29 |
| TPSA: | 108.33 | NumAromaticRings: | 1 |
