Glycoside
...
GD080475

Name:
None

Formula:
C15H23O9N3S

Smiles:
C[C@@H]1C[C@H]1c1ncc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cn1

Aglycone:
CC1CC1c1ncc(C(N)=O)cn1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.67
AlogP: -0.71 Num_rotatable_bonds: 6
MolWt: 421.43 Num_heavy_atoms: 28
TPSA: 194.72 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
AD27837
Formula: C9H11ON3

Smiles:
CC1CC1c1ncc(C(N)=O)cn1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.44
AlogP: 0.7 Num_rotatable_bonds: 2
MolWt: 177.21 Num_heavy_atoms: 13
TPSA: 68.87 NumAromaticRings: 1

Sugarmoiety
SD00017

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