Glycoside
...
GD054056

Name:
None

Formula:
C12H18O7N2S

Smiles:
Cc1ccnc(S(=O)(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1

Aglycone:
Cc1ccnc(S(N)(=O)=O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 5 FractionCSP3: 0.58
AlogP: -2.53 Num_rotatable_bonds: 4
MolWt: 334.35 Num_heavy_atoms: 22
TPSA: 149.21 NumAromaticRings: 1

Unique Aglycone
AD27553
Formula: C6H8O2N2S

Smiles:
Cc1ccnc(S(N)(=O)=O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 0.04 Num_rotatable_bonds: 1
MolWt: 172.21 Num_heavy_atoms: 11
TPSA: 73.05 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O