Glycoside
GD037722
Name:
n-[(2s,3s,4r)-1-({6-o-[(4-chlorophenyl)carbamoyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamideFormula:
C58H103O10N2ClSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](COC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.COC(=O)Nc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 13.39 | Num_rotatable_bonds: | 46 |
| MolWt: | 1011.91 | Num_heavy_atoms: | 70 |
| TPSA: | 187.04 | 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 |
AD00905
Formula: C9H8O2NCl
Smiles:
COC(=O)Nc1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 185.61 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
