Glycoside
...
GD086920

Name:
None

Formula:
C13H18O10N3ClS

Smiles:
O=C(Cn1nc(Cl)ccc1=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)Cn1nc(Cl)ccc1=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: -2.02 Num_rotatable_bonds: 6
MolWt: 431.81 Num_heavy_atoms: 27
TPSA: 203.83 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
AD28609
Formula: C7H6O2N3Cl

Smiles:
NC(=O)Cn1nc(Cl)ccc1=O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: -0.62 Num_rotatable_bonds: 2
MolWt: 187.59 Num_heavy_atoms: 12
TPSA: 77.98 NumAromaticRings: 1

Sugarmoiety
SD00017

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