Glycoside
GD039442
Name:
n-[(2s,3s,4r)-1-({4-o-[(3,4-dichlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamideFormula:
C59H103O9NCl2Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.OCc1ccc(Cl)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 14.01 | Num_rotatable_bonds: | 47 |
| MolWt: | 1017.35 | Num_heavy_atoms: | 69 |
| TPSA: | 157.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD00325
Formula: C44H89O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.66 | Num_rotatable_bonds: | 41 |
| MolWt: | 696.2 | Num_heavy_atoms: | 49 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
AD15203
Formula: C9H6OCl2
Smiles:
OCc1ccc(Cl)c(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.03 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
