Glycoside
...
GD089783

Name:
None

Formula:
C16H20O8N3ClS

Smiles:
Cc1ccc2nc(N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c(Cl)nc2c1

Aglycone:
COS(O)(O)O.Cc1ccc2nc(N)c(Cl)nc2c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.47
AlogP: 0.97 Num_rotatable_bonds: 5
MolWt: 437.86 Num_heavy_atoms: 28
TPSA: 177.65 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
AD32883
Formula: C10H8N3Cl

Smiles:
Cc1ccc2nc(N)c(Cl)nc2c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 2.17 Num_rotatable_bonds: 0
MolWt: 193.64 Num_heavy_atoms: 13
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00017

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