Glycoside
...
GD124306

Name:
2-{[2-({2-[1-(6-carboxy-3-acetamido-4,6-dihydroxyoxan-2-yl)-2,3-dihydroxypropoxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-6-(1-{[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,3-dihydroxypropyl)-4-hydroxyoxane-2-carboxylic acid

Formula:
C50H82O37N4

Smiles:
CC(O)=NC1C(OC(C(O)CO)C2OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C5OC(O)(C(=O)O)CC(O)C5N=C(C)O)C4N=C(C)O)C3O)(C(=O)O)CC(O)C2N=C(C)O)OC(CO)C(O)C1OC1OC(CO)C(O)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:
CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 6
HBD: 24 FractionCSP3: 0.88
AlogP: -11.75 Num_rotatable_bonds: 26
MolWt: 1331.2 Num_heavy_atoms: 91
TPSA: 670.63 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
SD06290

CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O