Glycoside
...
GD031293

Name:
None

Formula:
C26H25O7N3S

Smiles:
N#Cc1ccc(S(=O)(=O)NC[C@@H]2OC(O)[C@H](NC(=O)c3cccc(-c4ccccc4)c3)[C@H](O)[C@H]2O)cc1

Aglycone:
CNS(=O)(=O)c1ccc(C#N)cc1.NC(=O)c1cccc(-c2ccccc2)c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.23
AlogP: 0.74 Num_rotatable_bonds: 7
MolWt: 523.57 Num_heavy_atoms: 37
TPSA: 168.98 NumAromaticRings: 3

Unique Aglycone
AD05138
Formula: C13H11ON

Smiles:
NC(=O)c1cccc(-c2ccccc2)c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.45 Num_rotatable_bonds: 2
MolWt: 197.24 Num_heavy_atoms: 15
TPSA: 43.09 NumAromaticRings: 2
AD13867
Formula: C8H8O2N2S

Smiles:
CNS(=O)(=O)c1ccc(C#N)cc1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 0.47 Num_rotatable_bonds: 2
MolWt: 196.23 Num_heavy_atoms: 13
TPSA: 69.96 NumAromaticRings: 1

Sugarmoiety
SD00017

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