Glycoside
GD038943
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)tetra hydro-2h-pyran-2-yl]oxy}octan-2-yl]dodecanamideFormula:
C38H66O10N2Smiles:
CCCCCCCCCCCC(=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:
CCCCCCCCCCCC(=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: | 0.79 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 28 |
| MolWt: | 710.95 | Num_heavy_atoms: | 50 |
| TPSA: | 198.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD24199
Formula: C32H56O5N2
Smiles:
CCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 25 |
| MolWt: | 548.81 | Num_heavy_atoms: | 39 |
| TPSA: | 118.89 | NumAromaticRings: | 1 |
