Glycoside
...
GD082742

Name:
None

Formula:
C15H19O9N2FS

Smiles:
N#Cc1cc(CC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ccc1F

Aglycone:
COS(O)(O)O.N#Cc1cc(CC(N)=O)ccc1F

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.47
AlogP: -0.68 Num_rotatable_bonds: 6
MolWt: 422.39 Num_heavy_atoms: 28
TPSA: 192.73 NumAromaticRings: 1

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
AD29299
Formula: C9H7ON2F

Smiles:
N#Cc1cc(CC(N)=O)ccc1F
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.11
AlogP: 0.73 Num_rotatable_bonds: 2
MolWt: 178.17 Num_heavy_atoms: 13
TPSA: 66.88 NumAromaticRings: 1

Sugarmoiety
SD00017

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