Glycoside
...
GD134798

Name:
3,4'-dihydroxy-3-(hydroxymethyl)-5'-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-hexahydro-3H-spiro[1-benzofuran-2,2'-oxane]-6-carboxylic acid

Formula:
C21H34O13

Smiles:
O=C(O)C1CCC2C(C1)OC1(CC(O)C(COC3OC(CO)C(O)C(O)C3O)CO1)C2(O)CO

Aglycone:
O=C(O)C1CCC2C(C1)OC1(CC(O)C(CO)CO1)C2(O)CO

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 8 FractionCSP3: 0.95
AlogP: -3.48 Num_rotatable_bonds: 6
MolWt: 494.49 Num_heavy_atoms: 34
TPSA: 215.83 NumAromaticRings: 0

Unique Aglycone
AD54525
Formula: C15H24O8

Smiles:
O=C(O)C1CCC2C(C1)OC1(CC(O)C(CO)CO1)C2(O)CO
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.93
AlogP: -1.3 Num_rotatable_bonds: 3
MolWt: 332.35 Num_heavy_atoms: 23
TPSA: 136.68 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O