Glycoside
...
GD112615

Name:
None

Formula:
C35H38O14S4

Smiles:
CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H]1OS(=O)(=O)c1ccc(C)cc1

Aglycone:
COS(=O)(=O)c1ccc(C)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 0 FractionCSP3: 0.31
AlogP: 4.32 Num_rotatable_bonds: 14
MolWt: 810.94 Num_heavy_atoms: 53
TPSA: 191.94 NumAromaticRings: 4

Unique Aglycone
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
AD01798
Formula: C8H10O3S

Smiles:
COS(=O)(=O)c1ccc(C)cc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.33 Num_rotatable_bonds: 2
MolWt: 186.23 Num_heavy_atoms: 12
TPSA: 43.37 NumAromaticRings: 1

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O