Glycoside
...
GD094809

Name:
None

Formula:
C18H26O10N2S2

Smiles:
CN(C)c1cccc2c(S(=O)(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cccc12

Aglycone:
CN(C)c1cccc2c(S(N)(=O)=O)cccc12.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 0.15 Num_rotatable_bonds: 7
MolWt: 494.54 Num_heavy_atoms: 32
TPSA: 189.25 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
AD36537
Formula: C12H14O2N2S

Smiles:
CN(C)c1cccc2c(S(N)(=O)=O)cccc12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 1.55 Num_rotatable_bonds: 2
MolWt: 250.32 Num_heavy_atoms: 17
TPSA: 63.4 NumAromaticRings: 2

Sugarmoiety
SD00017

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