Glycoside
...
GD016638

Name:
None

Formula:
C20H23O12N5FP

Smiles:
C#C[C@@]1(O)[C@H](COP(=O)(O)OC[C@@H]2O[C@H](n3cc(F)c(=O)[nH]c3=O)C[C@H]2O)O[C@H](n2ccc(N)nc2=O)[C@H]1O

Aglycone:
COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O.Nc1cc[nH]c(=O)n1

Sugarmoiety:
C#CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 7 FractionCSP3: 0.5
AlogP: -3.08 Num_rotatable_bonds: 8
MolWt: 575.4 Num_heavy_atoms: 39
TPSA: 250.68 NumAromaticRings: 2

Unique Aglycone
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD02607
Formula: C10H14O8N2FP

Smiles:
COP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O
HBA: 10 RingCount: 2
HBD: 3 FractionCSP3: 0.6
AlogP: -0.91 Num_rotatable_bonds: 5
MolWt: 340.2 Num_heavy_atoms: 22
TPSA: 140.08 NumAromaticRings: 1

Sugarmoiety
SD00146

C#CC1(O)C(O)OC(O)C1O