Glycoside
...
GD096722

Name:
None

Formula:
C17H26O9N3ClS

Smiles:
CCN(CC)C(=O)c1cc(Cl)nc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1

Aglycone:
CCN(CC)C(=O)c1cc(N)nc(Cl)c1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.62
AlogP: 0.59 Num_rotatable_bonds: 8
MolWt: 471.92 Num_heavy_atoms: 30
TPSA: 185.07 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
AD41128
Formula: C11H14ON3Cl

Smiles:
CCN(CC)C(=O)c1cc(N)nc(Cl)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.4
AlogP: 1.8 Num_rotatable_bonds: 3
MolWt: 227.69 Num_heavy_atoms: 15
TPSA: 59.22 NumAromaticRings: 1

Sugarmoiety
SD00017

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