Glycoside
...
GD097259

Name:
None

Formula:
C20H31O11NS

Smiles:
C[C@@H](C(=O)OC(C)(C)C)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1

Aglycone:
CC(C(=O)OC(C)(C)C)c1ccc(C(N)=O)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.6
AlogP: 0.82 Num_rotatable_bonds: 7
MolWt: 493.53 Num_heavy_atoms: 33
TPSA: 195.24 NumAromaticRings: 1

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
AD37786
Formula: C14H19O3N

Smiles:
CC(C(=O)OC(C)(C)C)c1ccc(C(N)=O)cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.43
AlogP: 2.23 Num_rotatable_bonds: 3
MolWt: 249.31 Num_heavy_atoms: 18
TPSA: 69.39 NumAromaticRings: 1

Sugarmoiety
SD00017

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