Glycoside
...
GD118745

Name:
6-({2-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl}oxy)-3-{[3-({6-carboxy-5-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

Formula:
C54H86O46

Smiles:
CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 46 RingCount: 9
HBD: 26 FractionCSP3: 0.94
AlogP: -17.27 Num_rotatable_bonds: 22
MolWt: 1471.24 Num_heavy_atoms: 100
TPSA: 734.1 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD05294

CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O