Glycoside
...
GD096139

Name:
None

Formula:
C19H25O8N4S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2[nH+]cnc3c2ccn3Cc2ccccc2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1[nH+]cnc2c1ccn2Cc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 8 FractionCSP3: 0.37
AlogP: 0.27 Num_rotatable_bonds: 7
MolWt: 469.5 Num_heavy_atoms: 32
TPSA: 183.83 NumAromaticRings: 3

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
AD40894
Formula: C13H13N4

Smiles:
Nc1[nH+]cnc2c1ccn2Cc1ccccc1
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.08
AlogP: 1.48 Num_rotatable_bonds: 2
MolWt: 225.27 Num_heavy_atoms: 17
TPSA: 57.98 NumAromaticRings: 3

Sugarmoiety
SD00017

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