Glycoside
...
GD013918

Name:
None

Formula:
C21H24O7S

Smiles:
COC1CC(OS(=O)(=O)c2ccc(C)cc2)C(OC(=O)c2ccccc2)C(C)O1

Aglycone:
Cc1ccc(S(=O)(=O)O)cc1.O=C(O)c1ccccc1

Sugarmoiety:
COC1CC(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 0 FractionCSP3: 0.38
AlogP: 3.08 Num_rotatable_bonds: 6
MolWt: 420.48 Num_heavy_atoms: 29
TPSA: 88.13 NumAromaticRings: 2

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD00419
Formula: C7H8O3S

Smiles:
Cc1ccc(S(=O)(=O)O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.24 Num_rotatable_bonds: 1
MolWt: 172.21 Num_heavy_atoms: 11
TPSA: 54.37 NumAromaticRings: 1

Sugarmoiety
SD00510

COC1CC(O)C(O)C(C)O1