Glycoside
GD151322
Name:
N-(1-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoctadec-6-en-2-yl)-2-hydroxydocosanamideFormula:
C48H92O10N2Smiles:
CCCCCCCCCCCC=CCC(O)C(O)C(COC1OC(CO)C(O)C(O)C1N=C(C)O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCC=CCC(O)C(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 9.49 | Num_rotatable_bonds: | 40 |
| MolWt: | 857.27 | Num_heavy_atoms: | 60 |
| TPSA: | 205.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD50613
Formula: C40H79O5N
Smiles:
CCCCCCCCCCCC=CCC(O)C(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 10.69 | Num_rotatable_bonds: | 36 |
| MolWt: | 654.07 | Num_heavy_atoms: | 46 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
