Glycoside
...
GD117077

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

Formula:
C48H74O41

Smiles:
CC1OC(O)C(OC2OC(C(=O)O)C(OC3OC(C)C(O)C(O)C3OC3OC(C(=O)O)C(OC4OC(C)C(O)C(O)C4OC4OC(C(=O)O)C(OC5OC(C)C(O)C(O)C5OC5OC(C(=O)O)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Aglycone:
[empty]

Sugarmoiety:
CC1OC(O)C(OC2OC(C(=O)O)C(OC3OC(C)C(O)C(O)C3OC3OC(C(=O)O)C(OC4OC(C)C(O)C(O)C4OC4OC(C(=O)O)C(OC5OC(C)C(O)C(O)C5OC5OC(C(=O)O)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 41 RingCount: 8
HBD: 22 FractionCSP3: 0.92
AlogP: -13.97 Num_rotatable_bonds: 18
MolWt: 1307.08 Num_heavy_atoms: 89
TPSA: 651.79 NumAromaticRings: 0

Unique Aglycone

Sugarmoiety
SD04979

CC1OC(O)C(OC2OC(C(=O)O)C(OC3OC(C)C(O)C(O)C3OC3OC(C(=O)O)C(OC4OC(C)C(O)C(O)C4OC4OC(C(=O)O)C(OC5OC(C)C(O)C(O)C5OC5OC(C(=O)O)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O