Glycoside
...
GD099283

Name:
None

Formula:
C17H17O8N3FClS

Smiles:
N#Cc1c(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc2cc(F)ccc2c1Cl

Aglycone:
COS(O)(O)O.N#Cc1c(N)nc2cc(F)ccc2c1Cl

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 1.27 Num_rotatable_bonds: 5
MolWt: 465.84 Num_heavy_atoms: 30
TPSA: 188.55 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
AD42230
Formula: C11H5N3FCl

Smiles:
N#Cc1c(N)nc2cc(F)ccc2c1Cl
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.48 Num_rotatable_bonds: 0
MolWt: 221.62 Num_heavy_atoms: 15
TPSA: 62.7 NumAromaticRings: 2

Sugarmoiety
SD00017

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