Glycoside
...
GD157765

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

Formula:
C81H134O62N4

Smiles:
COC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O4)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2N=C(C)O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O4)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2N=C(C)O)C1O

Aglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

Sugarmoiety:
COC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2N=C(C)O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2N=C(C)O)C1O

Other Identifiers

Properties
HBA: 66 RingCount: 11
HBD: 38 FractionCSP3: 0.93
AlogP: -21.98 Num_rotatable_bonds: 42
MolWt: 2155.93 Num_heavy_atoms: 147
TPSA: 1055.38 NumAromaticRings: 0

Unique Aglycone
AD44972
Formula: C11H19O9N

Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.82
AlogP: -3.03 Num_rotatable_bonds: 5
MolWt: 309.27 Num_heavy_atoms: 21
TPSA: 180.27 NumAromaticRings: 0

Sugarmoiety
SD10616

COC1OC(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2N=C(C)O)C(O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2N=C(C)O)C1O