Glycoside
GD038944
Name:
n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamideFormula:
C51H92O10N2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=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)Nc1ccc(CCCCC)cc1Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)Nc1ccc(CCCCC)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.84 |
| AlogP: | 8.93 | Num_rotatable_bonds: | 40 |
| MolWt: | 893.3 | Num_heavy_atoms: | 63 |
| TPSA: | 198.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD24200
Formula: C45H82O5N2
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)Nc1ccc(CCCCC)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 11.11 | Num_rotatable_bonds: | 37 |
| MolWt: | 731.16 | Num_heavy_atoms: | 52 |
| TPSA: | 118.89 | NumAromaticRings: | 1 |
