Glycoside
...
GD096513

Name:
None

Formula:
C21H25O11NS

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccccc1C(=O)OCc1ccccc1

Aglycone:
COS(O)(O)O.NC(=O)c1ccccc1C(=O)OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.33
AlogP: 0.74 Num_rotatable_bonds: 8
MolWt: 499.49 Num_heavy_atoms: 34
TPSA: 195.24 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD41035
Formula: C15H13O3N

Smiles:
NC(=O)c1ccccc1C(=O)OCc1ccccc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.14 Num_rotatable_bonds: 4
MolWt: 255.27 Num_heavy_atoms: 19
TPSA: 69.39 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O