Glycoside
...
GD115580

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

Formula:
C61H102O44N4

Smiles:
CC(O)=NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(N=C(C)O)C5OC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C4O)C(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC(O)=NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(N=C(C)O)C5OC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C4O)C(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 48 RingCount: 9
HBD: 27 FractionCSP3: 0.93
AlogP: -15.02 Num_rotatable_bonds: 27
MolWt: 1595.47 Num_heavy_atoms: 109
TPSA: 752.56 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD04654

CC(O)=NC1C(OC2C(OCC3OC(OC4C(CO)OC(OC5C(CO)OC(O)C(N=C(C)O)C5OC5OC(C)C(O)C(O)C5O)C(N=C(C)O)C4O)C(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O