Glycoside
...
GD096715

Name:
None

Formula:
C18H22O9N3ClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2cncc(OCc3cccc(Cl)c3)n2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cncc(OCc2cccc(Cl)c2)n1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.41
AlogP: 1.08 Num_rotatable_bonds: 8
MolWt: 479.9 Num_heavy_atoms: 31
TPSA: 186.88 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
AD41122
Formula: C12H10ON3Cl

Smiles:
Nc1cncc(OCc2cccc(Cl)c2)n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.29 Num_rotatable_bonds: 3
MolWt: 235.67 Num_heavy_atoms: 16
TPSA: 61.03 NumAromaticRings: 2

Sugarmoiety
SD00017

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