Glycoside
...
GD071621

Name:
None

Formula:
C14H23O8N2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2ccc3c([nH+]2)CCC3)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ccc2c([nH+]1)CCC2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 0.64
AlogP: -0.64 Num_rotatable_bonds: 5
MolWt: 379.41 Num_heavy_atoms: 25
TPSA: 166.01 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
AD33647
Formula: C8H11N2

Smiles:
Nc1ccc2c([nH+]1)CCC2
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.38
AlogP: 0.57 Num_rotatable_bonds: 0
MolWt: 135.19 Num_heavy_atoms: 10
TPSA: 40.16 NumAromaticRings: 1

Sugarmoiety
SD00017

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