Glycoside
...
GD017529

Name:
None

Formula:
C23H26O11N2

Smiles:
C#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(O)c(C(N)=O)c(=O)oc3c2C)OC(C)(C)[C@H]1OC

Aglycone:
C#CCONC(=O)O.Cc1c(O)ccc2c(O)c(C(N)=O)c(=O)oc12

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.43
AlogP: 0.46 Num_rotatable_bonds: 7
MolWt: 506.46 Num_heavy_atoms: 36
TPSA: 189.01 NumAromaticRings: 2

Unique Aglycone
AD00474
Formula: C4H5O3N

Smiles:
C#CCONC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.25
AlogP: -0.18 Num_rotatable_bonds: 2
MolWt: 115.09 Num_heavy_atoms: 8
TPSA: 58.56 NumAromaticRings: 0
AD12498
Formula: C11H9O5N

Smiles:
Cc1c(O)ccc2c(O)c(C(N)=O)c(=O)oc12
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.09
AlogP: 0.61 Num_rotatable_bonds: 1
MolWt: 235.19 Num_heavy_atoms: 17
TPSA: 113.76 NumAromaticRings: 2

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C