Glycoside
...
GD146029

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

Formula:
C70H120O56N2

Smiles:
CC(O)=NC(CO)C(O)C(OC1OC(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(O)C3O)C2O)C(O)C1N=C(C)O)C(O)CO

Aglycone:
CC(O)=NCCO

Sugarmoiety:
CC(O)=NC1C(OC(C(O)O)C(O)CO)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(O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 58 RingCount: 10
HBD: 36 FractionCSP3: 0.97
AlogP: -23.38 Num_rotatable_bonds: 37
MolWt: 1885.69 Num_heavy_atoms: 128
TPSA: 937.6 NumAromaticRings: 0

Unique Aglycone
AD45321
Formula: C4H9O2N

Smiles:
CC(O)=NCCO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: -0.04 Num_rotatable_bonds: 2
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 52.82 NumAromaticRings: 0

Sugarmoiety
SD09290

CC(O)=NC1C(OC(C(O)O)C(O)CO)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(O)C3O)C2O)C1O