Glycoside
...
GD152219

Name:
N-(2-{[5-(carboxyamino)-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-[(6-{[(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxyoxan-2-yl)oxy]methyl}-4-{[3-({3-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid

Formula:
C81H136O67N2

Smiles:
CC(O)=NC1C(OC2C(CO)OC(O)C(NC(=O)O)C2O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC(O)=NC1C(OC2C(CO)OC(O)C(NC(=O)O)C2O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 69 RingCount: 13
HBD: 42 FractionCSP3: 0.98
AlogP: -28.07 Num_rotatable_bonds: 39
MolWt: 2209.93 Num_heavy_atoms: 150
TPSA: 1101.64 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD09994

CC(O)=NC1C(OC2C(CO)OC(O)C(NC(=O)O)C2O)OC(CO)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C1O