Glycoside
...
GD142297

Name:
None

Formula:
C15H18O11S

Smiles:
O=C(C=Cc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1OS(=O)(=O)O

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

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.4
AlogP: -1.42 Num_rotatable_bonds: 6
MolWt: 406.37 Num_heavy_atoms: 27
TPSA: 180.05 NumAromaticRings: 1

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
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

Sugarmoiety
SD00003

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