Glycoside
...
GD087222

Name:
None

Formula:
C13H21O11N3S

Smiles:
Cn1cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n(C)c1=O

Aglycone:
COS(O)(O)O.Cn1cc(C(N)=O)c(=O)n(C)c1=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.62
AlogP: -3.22 Num_rotatable_bonds: 5
MolWt: 427.39 Num_heavy_atoms: 28
TPSA: 212.94 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
AD27487
Formula: C7H9O3N3

Smiles:
Cn1cc(C(N)=O)c(=O)n(C)c1=O
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.29
AlogP: -1.82 Num_rotatable_bonds: 1
MolWt: 183.17 Num_heavy_atoms: 13
TPSA: 87.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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