Glycoside
...
GD096718

Name:
None

Formula:
C17H20O9N3ClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2cnc(Cl)nc2Oc2ccccc2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cnc(Cl)nc1Oc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 1.3 Num_rotatable_bonds: 7
MolWt: 465.87 Num_heavy_atoms: 30
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
AD41124
Formula: C11H8ON3Cl

Smiles:
Nc1cnc(Cl)nc1Oc1ccccc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.5 Num_rotatable_bonds: 2
MolWt: 221.65 Num_heavy_atoms: 15
TPSA: 61.03 NumAromaticRings: 2

Sugarmoiety
SD00017

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