Glycoside
GD038942
Name:
(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(3-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamideFormula:
C33H56O10N2Smiles:
CCCCCCCC(=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)Nc1cccc(CCCCC)c1Aglycone:
CCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)Nc1cccc(CCCCC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 22 |
| MolWt: | 640.81 | Num_heavy_atoms: | 45 |
| TPSA: | 198.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD24198
Formula: C27H46O5N2
Smiles:
CCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)Nc1cccc(CCCCC)c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 4.09 | Num_rotatable_bonds: | 19 |
| MolWt: | 478.67 | Num_heavy_atoms: | 34 |
| TPSA: | 118.89 | NumAromaticRings: | 1 |
