Glycoside
...
GD096233

Name:
None

Formula:
C22H31O9N2S

Smiles:
C[N@H+](Cc1ccccc1)[C@@H](C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccccc1

Aglycone:
COS(O)(O)O.C[NH+](Cc1ccccc1)C(C(N)=O)c1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.41
AlogP: -0.48 Num_rotatable_bonds: 9
MolWt: 499.56 Num_heavy_atoms: 34
TPSA: 173.38 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
AD37205
Formula: C16H19ON2

Smiles:
C[NH+](Cc1ccccc1)C(C(N)=O)c1ccccc1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.19
AlogP: 0.93 Num_rotatable_bonds: 5
MolWt: 255.34 Num_heavy_atoms: 19
TPSA: 47.53 NumAromaticRings: 2

Sugarmoiety
SD00017

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