Glycoside
...
GD097172

Name:
None

Formula:
C21H25O9N3S

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc(Cn2cnc3ccccc32)cc1

Aglycone:
COS(O)(O)O.NC(=O)c1ccc(Cn2cnc3ccccc32)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.33
AlogP: 0.78 Num_rotatable_bonds: 7
MolWt: 495.51 Num_heavy_atoms: 34
TPSA: 186.76 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
AD37731
Formula: C15H13ON3

Smiles:
NC(=O)c1ccc(Cn2cnc3ccccc32)cc1
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.07
AlogP: 2.18 Num_rotatable_bonds: 3
MolWt: 251.29 Num_heavy_atoms: 19
TPSA: 60.91 NumAromaticRings: 3

Sugarmoiety
SD00017

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