Glycoside
...
GD120957

Name:
N-(2-{[2-({[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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)-5-{[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:
C46H78O35N2

Smiles:
CC(O)=NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)OC(OC(C(O)CO)C(O)C(O)C=O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC(O)=NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)OC(OC(C(O)CO)C(O)C(O)C=O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 6
HBD: 22 FractionCSP3: 0.93
AlogP: -13.09 Num_rotatable_bonds: 24
MolWt: 1219.11 Num_heavy_atoms: 83
TPSA: 597.61 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD05718

CC(O)=NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2N=C(C)O)OC(OC(C(O)CO)C(O)C(O)C=O)C1O