Glycoside
GD116174
Name:
2-(piperidin-1-yl)ethyl 4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}benzoateFormula:
C28H37O12NSmiles:
CC(=O)OCC1OC(Oc2ccc(C(=O)OCCN3CCCCC3)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=C(OCCN1CCCCC1)c1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.61 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 579.6 | Num_heavy_atoms: | 41 |
| TPSA: | 153.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD46089
Formula: C14H19O3N
Smiles:
O=C(OCCN1CCCCC1)c1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 249.31 | Num_heavy_atoms: | 18 |
| TPSA: | 49.77 | NumAromaticRings: | 1 |
