Glycoside
GD038823
Name:
(2r,3r)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acidFormula:
C36H41O7NSmiles:
O=C(O)CO[C@@H](C(=O)O)[C@H](OCCCCCc1ccc2ccccc2c1)C(=O)NCCCCCc1ccc2ccccc2c1Aglycone:
CCCCCc1ccc2ccccc2c1.NCCCCCc1ccc2ccccc2c1Sugarmoiety:
O=C(O)COC(C(=O)O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 19 |
| MolWt: | 599.72 | Num_heavy_atoms: | 44 |
| TPSA: | 122.16 | NumAromaticRings: | 4 |
Unique Aglycone
AD24152
Formula: C15H18
Smiles:
CCCCCc1ccc2ccccc2c1| HBA: | 0 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.31 | Num_heavy_atoms: | 15 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
AD24153
Formula: C15H19N
Smiles:
NCCCCCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 213.32 | Num_heavy_atoms: | 16 |
| TPSA: | 26.02 | NumAromaticRings: | 2 |
