Glycoside
GD125164
Name:
N-(1-{[6-({[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoctadec-6-en-2-yl)-2-hydroxydocosanamideFormula:
C54H102O15N2Smiles:
CCCCCCCCCCCC=CCC(O)C(O)C(COC1OC(COC2OC(CO)C(O)C(O)C2N=C(C)O)C(O)C(O)C1O)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCC=CCC(O)C(O)C(CO)N=C(O)C(O)CCCCCCCCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OCC2OC(O)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.93 |
| AlogP: | 7.32 | Num_rotatable_bonds: | 43 |
| MolWt: | 1019.41 | Num_heavy_atoms: | 71 |
| TPSA: | 284.17 | 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 |
