Glycoside
...
GD034592

Name:
None

Formula:
C19H21O10N2SBr

Smiles:
Cc1oc(S(=O)(=O)NC[C@@H]2OC(O)[C@H](NC(=O)c3cccc(Br)c3)[C@H](O)[C@H]2O)cc1C(=O)O

Aglycone:
CNS(=O)(=O)c1cc(C(=O)O)c(C)o1.NC(=O)c1cccc(Br)c1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.37
AlogP: -0.44 Num_rotatable_bonds: 7
MolWt: 549.35 Num_heavy_atoms: 33
TPSA: 195.63 NumAromaticRings: 2

Unique Aglycone
AD19143
Formula: C7H6ONBr

Smiles:
NC(=O)c1cccc(Br)c1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.55 Num_rotatable_bonds: 1
MolWt: 200.03 Num_heavy_atoms: 10
TPSA: 43.09 NumAromaticRings: 1
AD21974
Formula: C7H9O5NS

Smiles:
CNS(=O)(=O)c1cc(C(=O)O)c(C)o1
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: 0.19 Num_rotatable_bonds: 3
MolWt: 219.22 Num_heavy_atoms: 14
TPSA: 96.61 NumAromaticRings: 1

Sugarmoiety
SD00017

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