Glycoside
...
GD075644

Name:
None

Formula:
C14H22O8N3S

Smiles:
Cn1ccc2c(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)[nH+]ccc21

Aglycone:
COS(O)(O)O.Cn1ccc2c(N)[nH+]ccc21

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.5
AlogP: -0.63 Num_rotatable_bonds: 5
MolWt: 392.41 Num_heavy_atoms: 26
TPSA: 170.94 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
AD26617
Formula: C8H10N3

Smiles:
Cn1ccc2c(N)[nH+]ccc21
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.12
AlogP: 0.57 Num_rotatable_bonds: 0
MolWt: 148.19 Num_heavy_atoms: 11
TPSA: 45.09 NumAromaticRings: 2

Sugarmoiety
SD00017

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