Glycoside
...
GD130748

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

Formula:
C62H102O47N4

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)C3OC3OC(CO)C(O)C(O)C3O)(C(=O)O)CC(O)C2N=C(C)O)OC(CO)C(O)C1OC1OC(CO)C(O)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)C1OC1OC(CO)C(O)C(O)C1O.CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 51 RingCount: 8
HBD: 30 FractionCSP3: 0.9
AlogP: -16.1 Num_rotatable_bonds: 32
MolWt: 1655.48 Num_heavy_atoms: 113
TPSA: 828.93 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
SD07266

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