Glycoside
...
GD093985

Name:
None

Formula:
C12H20O9N3SBr

Smiles:
Cc1nn(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1Br

Aglycone:
COS(O)(O)O.Cc1nn(CC(N)=O)cc1Br

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.67
AlogP: -0.97 Num_rotatable_bonds: 6
MolWt: 462.28 Num_heavy_atoms: 26
TPSA: 186.76 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
AD34471
Formula: C6H8ON3Br

Smiles:
Cc1nn(CC(N)=O)cc1Br
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 0.44 Num_rotatable_bonds: 2
MolWt: 218.05 Num_heavy_atoms: 11
TPSA: 60.91 NumAromaticRings: 1

Sugarmoiety
SD00017

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