Glycoside
...
GD102819

Name:
None

Formula:
C22H26O7N2S

Smiles:
CN1C[C@H](C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)Oc2ccccc21

Aglycone:
CN1CC(C(=O)Nc2ccc(S)cc2)Oc2ccccc21

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 5 FractionCSP3: 0.41
AlogP: 0.41 Num_rotatable_bonds: 5
MolWt: 462.52 Num_heavy_atoms: 32
TPSA: 131.72 NumAromaticRings: 2

Unique Aglycone
AD43523
Formula: C16H16O2N2S

Smiles:
CN1CC(C(=O)Nc2ccc(S)cc2)Oc2ccccc21
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.19
AlogP: 2.81 Num_rotatable_bonds: 2
MolWt: 300.38 Num_heavy_atoms: 21
TPSA: 41.57 NumAromaticRings: 2

Sugarmoiety
SD00003

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