Glycoside
...
GD097208

Name:
None

Formula:
C19H30O11N2S

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

Aglycone:
CN(C(=O)OC(C)(C)C)c1ccccc1C(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: 0.75 Num_rotatable_bonds: 6
MolWt: 494.52 Num_heavy_atoms: 33
TPSA: 198.48 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
AD37757
Formula: C13H18O3N2

Smiles:
CN(C(=O)OC(C)(C)C)c1ccccc1C(N)=O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: 2.16 Num_rotatable_bonds: 2
MolWt: 250.3 Num_heavy_atoms: 18
TPSA: 72.63 NumAromaticRings: 1

Sugarmoiety
SD00017

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