Glycoside
...
GD114896

Name:
{6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-3-methoxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula:
C31H28O14

Smiles:
COC1C(COC(=O)C=Cc2ccc(O)c(O)c2)OC(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:
COC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 8 FractionCSP3: 0.23
AlogP: 2.13 Num_rotatable_bonds: 7
MolWt: 624.55 Num_heavy_atoms: 45
TPSA: 236.81 NumAromaticRings: 4

Unique Aglycone
AD00567
Formula: C15H10O6

Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 2.28 Num_rotatable_bonds: 1
MolWt: 286.24 Num_heavy_atoms: 21
TPSA: 111.13 NumAromaticRings: 3
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1

Sugarmoiety
SD00685

COC1C(O)OC(O)C(O)C1O