Glycoside
...
GD071923

Name:
None

Formula:
C12H21O10N3S

Smiles:
CN(C)c1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)o1

Aglycone:
CN(C)c1ncc(C(N)=O)o1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.67
AlogP: -1.57 Num_rotatable_bonds: 6
MolWt: 399.38 Num_heavy_atoms: 26
TPSA: 198.21 NumAromaticRings: 1

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
AD26055
Formula: C6H9O2N3

Smiles:
CN(C)c1ncc(C(N)=O)o1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: -0.16 Num_rotatable_bonds: 2
MolWt: 155.16 Num_heavy_atoms: 11
TPSA: 72.36 NumAromaticRings: 1

Sugarmoiety
SD00017

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