Glycoside
...
GD099135

Name:
None

Formula:
C18H25O9N3S2

Smiles:
CN(C)c1ccc(-c2nc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cs2)cc1

Aglycone:
CN(C)c1ccc(-c2nc(C(N)=O)cs2)cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.44
AlogP: 0.57 Num_rotatable_bonds: 7
MolWt: 491.54 Num_heavy_atoms: 32
TPSA: 185.07 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
AD38070
Formula: C12H13ON3S

Smiles:
CN(C)c1ccc(-c2nc(C(N)=O)cs2)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 1.97 Num_rotatable_bonds: 3
MolWt: 247.32 Num_heavy_atoms: 17
TPSA: 59.22 NumAromaticRings: 2

Sugarmoiety
SD00017

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