Glycoside
...
GD131796

Name:
N-[5-({5-[(6-{[(3-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]methyl}-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Formula:
C52H88O41N2

Smiles:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C(O)CO)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2N=C(C)O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C(O)CO)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2N=C(C)O)C1O

Other Identifiers

Properties
HBA: 43 RingCount: 8
HBD: 26 FractionCSP3: 0.96
AlogP: -16.48 Num_rotatable_bonds: 25
MolWt: 1397.25 Num_heavy_atoms: 95
TPSA: 689.15 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD07421

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(C(O)CO)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2N=C(C)O)C1O