Glycoside
...
GD095612

Name:
None

Formula:
C16H25O11N2FS

Smiles:
COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1F

Aglycone:
COS(O)(O)O.COc1ccc([N+](=O)[O-])c(CC(C)N)c1F

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.62
AlogP: 0.23 Num_rotatable_bonds: 9
MolWt: 472.44 Num_heavy_atoms: 31
TPSA: 204.24 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
AD35217
Formula: C10H13O3N2F

Smiles:
COc1ccc([N+](=O)[O-])c(CC(C)N)c1F
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.4
AlogP: 1.63 Num_rotatable_bonds: 4
MolWt: 228.22 Num_heavy_atoms: 16
TPSA: 78.39 NumAromaticRings: 1

Sugarmoiety
SD00017

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