Glycoside
...
GD151809

Name:
5-acetamido-2-{[6-({5-acetamido-6-[(4-{[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl)methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula:
C51H85O39N3

Smiles:
CC(O)=NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O

Aglycone:
COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1

Sugarmoiety:
CC(O)=NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 7
HBD: 25 FractionCSP3: 0.92
AlogP: -14.12 Num_rotatable_bonds: 25
MolWt: 1364.22 Num_heavy_atoms: 93
TPSA: 679.89 NumAromaticRings: 0

Unique Aglycone
AD46866
Formula: C12H21O9N

Smiles:
COC1(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O1
HBA: 10 RingCount: 1
HBD: 6 FractionCSP3: 0.83
AlogP: -2.38 Num_rotatable_bonds: 6
MolWt: 323.3 Num_heavy_atoms: 22
TPSA: 169.27 NumAromaticRings: 0

Sugarmoiety
SD09950

CC(O)=NC1C(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C2O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1O