Glycoside
...
GD094011

Name:
None

Formula:
C11H17O9N2S2Br

Smiles:
O=C(Cc1csc(Br)n1)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.NC(=O)Cc1csc(Br)n1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.64
AlogP: -0.47 Num_rotatable_bonds: 6
MolWt: 465.3 Num_heavy_atoms: 25
TPSA: 181.83 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
AD34483
Formula: C5H5ON2SBr

Smiles:
NC(=O)Cc1csc(Br)n1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 0.93 Num_rotatable_bonds: 2
MolWt: 221.08 Num_heavy_atoms: 10
TPSA: 55.98 NumAromaticRings: 1

Sugarmoiety
SD00017

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