Glycoside
...
GD116867

Name:
7-[(4-carboxy-2,5-dihydroxybenzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Formula:
C24H28O15

Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3cc(O)c(C(=O)O)cc3O)CCC12

Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)c3cc(O)c(C(=O)O)cc3O)CCC12

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 8 FractionCSP3: 0.54
AlogP: -1.26 Num_rotatable_bonds: 8
MolWt: 556.47 Num_heavy_atoms: 39
TPSA: 249.97 NumAromaticRings: 1

Unique Aglycone
AD46497
Formula: C18H18O10

Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)c3cc(O)c(C(=O)O)cc3O)CCC12
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.39
AlogP: 0.91 Num_rotatable_bonds: 5
MolWt: 394.33 Num_heavy_atoms: 28
TPSA: 170.82 NumAromaticRings: 1

Sugarmoiety
SD00003

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