Glycoside
GD038946
Name:
n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]icosanamideFormula:
C46H82O10N2Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCC(=O)NCCCCCCc1ccccc1Aglycone:
CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | 6.14 | Num_rotatable_bonds: | 36 |
| MolWt: | 823.17 | Num_heavy_atoms: | 58 |
| TPSA: | 198.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD24202
Formula: C40H72O5N2
Smiles:
CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 8.32 | Num_rotatable_bonds: | 33 |
| MolWt: | 661.02 | Num_heavy_atoms: | 47 |
| TPSA: | 118.89 | NumAromaticRings: | 1 |
