Glycoside
GD122693
Name:
N-[1-({5-[(5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3-hydroxyoctadec-4-en-2-yl]tetracos-15-enamideFormula:
C62H114O18N2Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3N=C(C)O)C(O)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.9 |
| AlogP: | 7.76 | Num_rotatable_bonds: | 47 |
| MolWt: | 1175.59 | Num_heavy_atoms: | 82 |
| TPSA: | 322.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD47285
Formula: C42H81O3N
Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 13.3 | Num_rotatable_bonds: | 37 |
| MolWt: | 648.11 | Num_heavy_atoms: | 46 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
