Glycoside
...
GD028532

Name:
None

Formula:
C24H22O7N2Cl2S

Smiles:
Cn1c(CO[C@H]2[C@H](O)[C@@H](Sc3ccc(Cl)c(Cl)c3)O[C@@H](CO)[C@H]2O)nc2ccc(C(=O)O)cc21

Aglycone:
Cn1c(CO)nc2ccc(C(=O)O)cc21.Sc1ccc(Cl)c(Cl)c1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.36
AlogP: 2.69 Num_rotatable_bonds: 7
MolWt: 529.4 Num_heavy_atoms: 34
TPSA: 134.27 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
AD18630
Formula: C10H10O3N2

Smiles:
Cn1c(CO)nc2ccc(C(=O)O)cc21
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 0.76 Num_rotatable_bonds: 2
MolWt: 206.2 Num_heavy_atoms: 15
TPSA: 75.35 NumAromaticRings: 2

Sugarmoiety
SD00003

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