Glycoside
...
GD158069

Name:
None

Formula:
C22H22O13S

Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(CC3OC(CO)C(O)C(O)C3OS(=O)(=O)O)cc(O)c12

Aglycone:
Cc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1.O=S(=O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.32
AlogP: -0.21 Num_rotatable_bonds: 6
MolWt: 526.47 Num_heavy_atoms: 36
TPSA: 224.42 NumAromaticRings: 3

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
AD62419
Formula: C16H12O5

Smiles:
Cc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1
HBA: 5 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.89 Num_rotatable_bonds: 1
MolWt: 284.27 Num_heavy_atoms: 21
TPSA: 90.9 NumAromaticRings: 3

Sugarmoiety
SD00003

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