Glycoside
...
GD099278

Name:
None

Formula:
C20H25O9N3S

Smiles:
N#CCc1ccc(OCc2ccc(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)nc2)cc1

Aglycone:
COS(O)(O)O.N#CCc1ccc(OCc2ccc(N)nc2)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.4
AlogP: 1.1 Num_rotatable_bonds: 9
MolWt: 483.5 Num_heavy_atoms: 33
TPSA: 197.78 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
AD42228
Formula: C14H13ON3

Smiles:
N#CCc1ccc(OCc2ccc(N)nc2)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: 2.31 Num_rotatable_bonds: 4
MolWt: 239.28 Num_heavy_atoms: 18
TPSA: 71.93 NumAromaticRings: 2

Sugarmoiety
SD00017

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