Glycoside
...
GD071628

Name:
None

Formula:
C15H25O8N2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2ccc3c([nH+]2)CCCC3)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ccc2c([nH+]1)CCCC2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 0.67
AlogP: -0.25 Num_rotatable_bonds: 5
MolWt: 393.44 Num_heavy_atoms: 26
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
AD26851
Formula: C9H13N2

Smiles:
Nc1ccc2c([nH+]1)CCCC2
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.44
AlogP: 0.96 Num_rotatable_bonds: 0
MolWt: 149.22 Num_heavy_atoms: 11
TPSA: 40.16 NumAromaticRings: 1

Sugarmoiety
SD00017

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