Glycoside
...
GD072239

Name:
None

Formula:
C13H23O9N3S

Smiles:
CCc1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nn1C

Aglycone:
CCc1cc(C(N)=O)nn1C.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.69
AlogP: -1.32 Num_rotatable_bonds: 6
MolWt: 397.41 Num_heavy_atoms: 26
TPSA: 186.76 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
AD26526
Formula: C7H11ON3

Smiles:
CCc1cc(C(N)=O)nn1C
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.43
AlogP: 0.08 Num_rotatable_bonds: 2
MolWt: 153.19 Num_heavy_atoms: 11
TPSA: 60.91 NumAromaticRings: 1

Sugarmoiety
SD00017

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