Glycoside
...
GD092419

Name:
None

Formula:
C19H29O8N2S

Smiles:
N#Cc1ccc([C@H]2CC[C@@H]([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)cc1

Aglycone:
COS(O)(O)O.N#Cc1ccc(C2CCC([NH3+])CC2)cc1

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 0.63
AlogP: 0.11 Num_rotatable_bonds: 6
MolWt: 445.51 Num_heavy_atoms: 30
TPSA: 180.24 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
AD40323
Formula: C13H17N2

Smiles:
N#Cc1ccc(C2CCC([NH3+])CC2)cc1
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.46
AlogP: 1.83 Num_rotatable_bonds: 1
MolWt: 201.29 Num_heavy_atoms: 15
TPSA: 51.43 NumAromaticRings: 1

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O