Glycoside
...
GD126942

Name:
Isoscutellarein 4'-Methyl Ether 8-(2''-Sulfatoglucoside)

Formula:
C22H22O14S

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(OC4OC(CO)C(O)C(O)C4OS(=O)(=O)O)c3o2)cc1

Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1.O=S(=O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 6 FractionCSP3: 0.32
AlogP: -0.11 Num_rotatable_bonds: 7
MolWt: 542.47 Num_heavy_atoms: 37
TPSA: 222.65 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
AD51377
Formula: C16H12O6

Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.59 Num_rotatable_bonds: 2
MolWt: 300.27 Num_heavy_atoms: 22
TPSA: 100.13 NumAromaticRings: 3

Sugarmoiety
SD00003

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