Glycoside
...
GD018324

Name:
None

Formula:
C21H24O10S

Smiles:
O=S(=O)(O)O[C@@H]1[C@H](O)[C@H](Cc2cc(O)cc(C=Cc3ccc(O)cc3)c2)O[C@H](CO)[C@H]1O

Aglycone:
Cc1cc(O)cc(C=Cc2ccc(O)cc2)c1.O=S(=O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.33
AlogP: 0.48 Num_rotatable_bonds: 7
MolWt: 468.48 Num_heavy_atoms: 32
TPSA: 173.98 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
AD12946
Formula: C15H14O2

Smiles:
Cc1cc(O)cc(C=Cc2ccc(O)cc2)c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 3.58 Num_rotatable_bonds: 2
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 40.46 NumAromaticRings: 2

Sugarmoiety
SD00003

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