Glycoside
...
GD093956

Name:
None

Formula:
C19H24O9N4S

Smiles:
Cn1cc(-n2cc(C(=O)N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c3ccccc32)cn1

Aglycone:
COS(O)(O)O.Cn1cc(-n2cc(C(N)=O)c3ccccc32)cn1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.37
AlogP: 0.06 Num_rotatable_bonds: 6
MolWt: 484.49 Num_heavy_atoms: 33
TPSA: 191.69 NumAromaticRings: 3

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
AD36810
Formula: C13H12ON4

Smiles:
Cn1cc(-n2cc(C(N)=O)c3ccccc32)cn1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.08
AlogP: 1.46 Num_rotatable_bonds: 2
MolWt: 240.27 Num_heavy_atoms: 18
TPSA: 65.84 NumAromaticRings: 3

Sugarmoiety
SD00017

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