Glycoside
...
GD107078

Name:
3-[2-({3,4,5-trihydroxy-6-[(3,4,5-trimethoxybenzoyloxy)methyl]oxan-2-yl}oxy)phenyl]prop-2-enoic acid

Formula:
C25H28O12

Smiles:
COc1cc(C(=O)OC[C@H]2O[C@@H](Oc3ccccc3/C=C/C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC

Aglycone:
COC(=O)c1cc(OC)c(OC)c(OC)c1.O=C(O)C=Cc1ccccc1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 4 FractionCSP3: 0.36
AlogP: 0.85 Num_rotatable_bonds: 10
MolWt: 520.49 Num_heavy_atoms: 37
TPSA: 170.44 NumAromaticRings: 2

Unique Aglycone
AD09743
Formula: C11H14O5

Smiles:
COC(=O)c1cc(OC)c(OC)c(OC)c1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.36
AlogP: 1.5 Num_rotatable_bonds: 4
MolWt: 226.23 Num_heavy_atoms: 16
TPSA: 53.99 NumAromaticRings: 1
AD14548
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccccc1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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