Glycoside
...
GD099291

Name:
None

Formula:
C18H20O9N2Cl2S

Smiles:
N#C[C@H](CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1c(Cl)cccc1Cl

Aglycone:
COS(O)(O)O.N#CC(CC(N)=O)c1c(Cl)cccc1Cl

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.5
AlogP: 1.07 Num_rotatable_bonds: 7
MolWt: 487.31 Num_heavy_atoms: 30
TPSA: 192.73 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
AD38106
Formula: C12H8ON2Cl2

Smiles:
N#CC(CC(N)=O)c1c(Cl)cccc1Cl
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 2.48 Num_rotatable_bonds: 3
MolWt: 243.09 Num_heavy_atoms: 15
TPSA: 66.88 NumAromaticRings: 1

Sugarmoiety
SD00017

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