Glycoside
...
GD122141

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

Formula:
C42H66O36

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(O)C3O)C(O)C2O)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(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 7
HBD: 20 FractionCSP3: 0.93
AlogP: -12.92 Num_rotatable_bonds: 16
MolWt: 1146.95 Num_heavy_atoms: 78
TPSA: 575.8 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD05934

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(O)C3O)C(O)C2O)C(O)C(O)C1O