Glycoside
...
GD121055

Name:
5-{[26,28,30,32,34,36,38,40,42,44,46,48-dodecacarbamoyl-24-(2-carbamoyl-2-methylethyl)-2-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-48-methyl-4,7,10,13,16,19,22-heptaoxaoctatetracontan-1-yl]oxy}-2-methyl-1,3-dioxane-2-carboxylic acid

Formula:
C82H143O41N13

Smiles:
CC(CC(COCCOCCOCCOCCOCCOCCOCC(COC1COC(C)(C(=O)O)OC1)OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O

Aglycone:
CC(CC(COCCOCCOCCOCCOCCOCCOCC(O)COC1COC(C)(C(=O)O)OC1)CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O

Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 54 RingCount: 4
HBD: 37 FractionCSP3: 0.83
AlogP: 0.87 Num_rotatable_bonds: 74
MolWt: 1967.1 Num_heavy_atoms: 136
TPSA: 960.32 NumAromaticRings: 0

Unique Aglycone
AD48694
Formula: C64H113O26N13

Smiles:
CC(CC(COCCOCCOCCOCCOCCOCCOCC(O)COC1COC(C)(C(=O)O)OC1)CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O)C(=N)O
HBA: 39 RingCount: 1
HBD: 28 FractionCSP3: 0.78
AlogP: 7.39 Num_rotatable_bonds: 65
MolWt: 1480.67 Num_heavy_atoms: 103
TPSA: 722.87 NumAromaticRings: 0

Sugarmoiety
SD00317

OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O