Glycoside
...
GD096539

Name:
None

Formula:
C18H18O9N2Cl2S

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1c(Cl)ccc2cc(Cl)cnc12

Aglycone:
COS(O)(O)O.NC(=O)c1c(Cl)ccc2cc(Cl)cnc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 1.23 Num_rotatable_bonds: 5
MolWt: 485.3 Num_heavy_atoms: 30
TPSA: 181.83 NumAromaticRings: 2

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
AD41045
Formula: C12H6ON2Cl2

Smiles:
NC(=O)c1c(Cl)ccc2cc(Cl)cnc12
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.64 Num_rotatable_bonds: 1
MolWt: 241.08 Num_heavy_atoms: 15
TPSA: 55.98 NumAromaticRings: 2

Sugarmoiety
SD00017

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