Glycoside
...
GD121884

Name:
3-{[2-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxyphenyl]methoxy}-2-hydroxycyclohexa-1,3-diene-1-carboxylic acid

Formula:
C27H28O12

Smiles:
O=C(O)C1=C(O)C(OCc2cc(O)ccc2OC2OC(COC(=O)c3ccccc3)C(O)C(O)C2O)=CCC1

Aglycone:
COC(=O)c1ccccc1.O=C(O)C1=C(O)C(OCc2cc(O)ccc2O)=CCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.33
AlogP: 1.53 Num_rotatable_bonds: 9
MolWt: 544.51 Num_heavy_atoms: 39
TPSA: 192.44 NumAromaticRings: 2

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
AD49084
Formula: C14H14O6

Smiles:
O=C(O)C1=C(O)C(OCc2cc(O)ccc2O)=CCC1
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.21
AlogP: 2.19 Num_rotatable_bonds: 4
MolWt: 278.26 Num_heavy_atoms: 20
TPSA: 107.22 NumAromaticRings: 1

Sugarmoiety
SD00017

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