Glycoside
...
GD131240

Name:
{6-[4-(3,5-dihydroxybenzoyl)-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methyl benzoate

Formula:
C26H24O12

Smiles:
O=C(OCC1OC(Oc2cc(O)c(C(=O)c3cc(O)cc(O)c3)c(O)c2)C(O)C(O)C1O)c1ccccc1

Aglycone:
COC(=O)c1ccccc1.O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.23
AlogP: 0.78 Num_rotatable_bonds: 7
MolWt: 528.47 Num_heavy_atoms: 38
TPSA: 203.44 NumAromaticRings: 3

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD46861
Formula: C13H10O6

Smiles:
O=C(c1cc(O)cc(O)c1)c1c(O)cc(O)cc1O
HBA: 6 RingCount: 2
HBD: 5 FractionCSP3: 0.0
AlogP: 1.45 Num_rotatable_bonds: 2
MolWt: 262.22 Num_heavy_atoms: 19
TPSA: 118.22 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O