Glycoside
...
GD006183

Name:
None

Formula:
C25H26O7N2S

Smiles:
O=C(N[C@@H]1C(O)O[C@H](CNS(=O)(=O)c2ccccc2)[C@H](O)[C@H]1O)c1cccc(-c2ccccc2)c1

Aglycone:
CNS(=O)(=O)c1ccccc1.NC(=O)c1cccc(-c2ccccc2)c1

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.24
AlogP: 0.87 Num_rotatable_bonds: 7
MolWt: 498.56 Num_heavy_atoms: 35
TPSA: 145.19 NumAromaticRings: 3

Unique Aglycone
AD05137
Formula: C7H9O2NS

Smiles:
CNS(=O)(=O)c1ccccc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 0.59 Num_rotatable_bonds: 2
MolWt: 171.22 Num_heavy_atoms: 11
TPSA: 46.17 NumAromaticRings: 1
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

Sugarmoiety
SD00017

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