Glycoside
...
GD030385

Name:
None

Formula:
C23H20O7N2Cl2S

Smiles:
O=C(O)c1ccc2nc(CO[C@H]3[C@H](O)[C@@H](Sc4ccc(Cl)c(Cl)c4)O[C@@H](CO)[C@H]3O)[nH]c2c1

Aglycone:
O=C(O)c1ccc2nc(CO)[nH]c2c1.Sc1ccc(Cl)c(Cl)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.33
AlogP: 2.68 Num_rotatable_bonds: 7
MolWt: 515.37 Num_heavy_atoms: 33
TPSA: 145.13 NumAromaticRings: 3

Unique Aglycone
AD18417
Formula: C8H4Cl2S

Smiles:
Sc1ccc(Cl)c(Cl)c1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 3.28 Num_rotatable_bonds: 0
MolWt: 179.07 Num_heavy_atoms: 9
TPSA: 0.0 NumAromaticRings: 1
AD19664
Formula: C9H8O3N2

Smiles:
O=C(O)c1ccc2nc(CO)[nH]c2c1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.11
AlogP: 0.75 Num_rotatable_bonds: 2
MolWt: 192.17 Num_heavy_atoms: 14
TPSA: 86.21 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O