Glycoside
GD038941
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]heptadecanamide (non-preferred name)Formula:
C43H76O10N2Smiles:
CCCCCCCCCCCCCCCCC(=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:
CCCCCCCCCCCCCCCCC(=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: | 0.81 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 33 |
| MolWt: | 781.08 | Num_heavy_atoms: | 55 |
| TPSA: | 198.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD24197
Formula: C37H66O5N2
Smiles:
CCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 7.15 | Num_rotatable_bonds: | 30 |
| MolWt: | 618.94 | Num_heavy_atoms: | 44 |
| TPSA: | 118.89 | NumAromaticRings: | 1 |
