Glycoside
...
GD003844

Name:
(4,5-dihydroxy-2-{3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid

Formula:
C20H22O11S

Smiles:
O=S(=O)(O)O[C@@H]1[C@H](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
O=S(=O)(O)O.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.3
AlogP: 0.27 Num_rotatable_bonds: 7
MolWt: 470.45 Num_heavy_atoms: 32
TPSA: 183.21 NumAromaticRings: 2

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD01773
Formula: C14H12O3

Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 2.97 Num_rotatable_bonds: 2
MolWt: 228.25 Num_heavy_atoms: 17
TPSA: 60.69 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O