Glycoside
...
GD099294

Name:
None

Formula:
C20H21O9N2FS

Smiles:
N#Cc1ccc(-c2ccc(C(=O)N[C@H]3[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)cc2)cc1F

Aglycone:
COS(O)(O)O.N#Cc1ccc(-c2ccc(C(N)=O)cc2)cc1F

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.3
AlogP: 1.06 Num_rotatable_bonds: 6
MolWt: 484.46 Num_heavy_atoms: 33
TPSA: 192.73 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD38115
Formula: C14H9ON2F

Smiles:
N#Cc1ccc(-c2ccc(C(N)=O)cc2)cc1F
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.46 Num_rotatable_bonds: 2
MolWt: 240.24 Num_heavy_atoms: 18
TPSA: 66.88 NumAromaticRings: 2

Sugarmoiety
SD00017

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