Glycoside
...
GD087295

Name:
None

Formula:
C15H22O9N2F2S

Smiles:
CN(C)c1c(F)cc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1F

Aglycone:
CN(C)c1c(F)cc(C(N)=O)cc1F.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.53
AlogP: -0.28 Num_rotatable_bonds: 6
MolWt: 444.41 Num_heavy_atoms: 29
TPSA: 172.18 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
AD31272
Formula: C9H10ON2F2

Smiles:
CN(C)c1c(F)cc(C(N)=O)cc1F
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.13 Num_rotatable_bonds: 2
MolWt: 200.19 Num_heavy_atoms: 14
TPSA: 46.33 NumAromaticRings: 1

Sugarmoiety
SD00017

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