Glycoside
...
GD021524

Name:
None

Formula:
C25H30O11N2

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

Aglycone:
C#CCONC(=O)O.CON=C(C)c1c(O)oc2c(C)c(O)ccc2c1=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.48
AlogP: 1.73 Num_rotatable_bonds: 8
MolWt: 534.52 Num_heavy_atoms: 38
TPSA: 167.51 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
AD08698
Formula: C13H13O5N

Smiles:
CON=C(C)c1c(O)oc2c(C)c(O)ccc2c1=O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.23
AlogP: 1.88 Num_rotatable_bonds: 2
MolWt: 263.25 Num_heavy_atoms: 19
TPSA: 92.26 NumAromaticRings: 2

Sugarmoiety
SD00066

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