Glycoside
...
GD035972

Name:
None

Formula:
C29H25O8N3Cl2S

Smiles:
COc1cc(C(=O)N[C@@H]2C(O)O[C@H](CNS(=O)(=O)c3cccc(Cl)c3Cl)[C@H](O)[C@H]2O)cc(-c2ccc(C#N)cc2)c1

Aglycone:
CNS(=O)(=O)c1cccc(Cl)c1Cl.COc1cc(C(N)=O)cc(-c2ccc(C#N)cc2)c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.26
AlogP: 2.06 Num_rotatable_bonds: 8
MolWt: 622.48 Num_heavy_atoms: 41
TPSA: 178.21 NumAromaticRings: 3

Unique Aglycone
AD00037
Formula: C9H7O2NCl2S

Smiles:
CNS(=O)(=O)c1cccc(Cl)c1Cl
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.9 Num_rotatable_bonds: 2
MolWt: 240.11 Num_heavy_atoms: 13
TPSA: 46.17 NumAromaticRings: 1
AD22733
Formula: C15H12O2N2

Smiles:
COc1cc(C(N)=O)cc(-c2ccc(C#N)cc2)c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.33 Num_rotatable_bonds: 3
MolWt: 252.27 Num_heavy_atoms: 19
TPSA: 76.11 NumAromaticRings: 2

Sugarmoiety
SD00017

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