Glycoside
...
GD020484

Name:
None

Formula:
C28H36O13N2

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

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 3 FractionCSP3: 0.54
AlogP: 1.72 Num_rotatable_bonds: 13
MolWt: 608.6 Num_heavy_atoms: 43
TPSA: 185.97 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
AD14139
Formula: C16H19O7N

Smiles:
COCCOCON=C(C)c1c(O)oc2c(C)c(O)ccc2c1=O
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.38
AlogP: 1.87 Num_rotatable_bonds: 7
MolWt: 337.33 Num_heavy_atoms: 24
TPSA: 110.72 NumAromaticRings: 2

Sugarmoiety
SD00066

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