Glycoside
...
GD151887

Name:
2-[(4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,5-dihydroxyoxan-2-yl)oxy]benzoic acid

Formula:
C31H28O14

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2ccccc2C(=O)O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1.O=C(O)c1ccccc1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.19
AlogP: 1.91 Num_rotatable_bonds: 10
MolWt: 624.55 Num_heavy_atoms: 45
TPSA: 229.74 NumAromaticRings: 3

Unique Aglycone
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
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
AD03549
Formula: C7H6O3

Smiles:
O=C(O)c1ccccc1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.09 Num_rotatable_bonds: 1
MolWt: 138.12 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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