Glycoside
...
GD097310

Name:
None

Formula:
C12H18O9NS2Br

Smiles:
Cc1sc(Br)cc1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.Cc1sc(Br)cc1C(N)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: 0.51 Num_rotatable_bonds: 5
MolWt: 464.31 Num_heavy_atoms: 25
TPSA: 168.94 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
AD41368
Formula: C6H6ONSBr

Smiles:
Cc1sc(Br)cc1C(N)=O
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.92 Num_rotatable_bonds: 1
MolWt: 220.09 Num_heavy_atoms: 10
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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