Glycoside
...
GD129749

Name:
None

Formula:
C15H18O12S

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1OC(CO)C(O)C(OS(=O)(=O)O)C1O

Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=S(=O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.4
AlogP: -1.72 Num_rotatable_bonds: 6
MolWt: 422.36 Num_heavy_atoms: 28
TPSA: 200.28 NumAromaticRings: 1

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
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD00003

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