Glycoside
...
GD030126

Name:
None

Formula:
C26H26O9N2S

Smiles:
O=C(O)c1cccc(S(=O)(=O)NC[C@@H]2OC(O)[C@H](NC(=O)c3cccc(-c4ccccc4)c3)[C@H](O)[C@H]2O)c1

Aglycone:
CNS(=O)(=O)c1cccc(C(=O)O)c1.NC(=O)c1cccc(-c2ccccc2)c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 6 FractionCSP3: 0.23
AlogP: 0.57 Num_rotatable_bonds: 8
MolWt: 542.57 Num_heavy_atoms: 38
TPSA: 182.49 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
AD19513
Formula: C8H9O4NS

Smiles:
CNS(=O)(=O)c1cccc(C(=O)O)c1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 0.29 Num_rotatable_bonds: 3
MolWt: 215.23 Num_heavy_atoms: 14
TPSA: 83.47 NumAromaticRings: 1

Sugarmoiety
SD00017

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