Glycoside
...
GD116061

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

Formula:
C52H88O39N2

Smiles:
CC(O)=NC1C(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC(O)=NC1C(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 7
HBD: 24 FractionCSP3: 0.94
AlogP: -14.59 Num_rotatable_bonds: 26
MolWt: 1365.25 Num_heavy_atoms: 93
TPSA: 656.53 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD04767

CC(O)=NC1C(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O