Glycoside
...
GD023426

Name:
None

Formula:
C24H23O14

Smiles:
O=C(O)CC(=O)OC[C@@H]1O[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)CC(=O)O.Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 8 FractionCSP3: 0.29
AlogP: 0.41 Num_rotatable_bonds: 7
MolWt: 535.43 Num_heavy_atoms: 38
TPSA: 234.97 NumAromaticRings: 3

Unique Aglycone
AD01529
Formula: C15H11O6

Smiles:
Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1
HBA: 6 RingCount: 3
HBD: 5 FractionCSP3: 0.0
AlogP: 2.91 Num_rotatable_bonds: 1
MolWt: 287.25 Num_heavy_atoms: 21
TPSA: 112.45 NumAromaticRings: 3
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD00017

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