Glycoside
...
GD004846

Name:
None

Formula:
C24H28O12N2

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

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.46
AlogP: 0.65 Num_rotatable_bonds: 8
MolWt: 536.49 Num_heavy_atoms: 38
TPSA: 184.25 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
AD04181
Formula: C12H11O6N

Smiles:
CONC(=O)c1c(O)oc2c(C)c(O)ccc2c1=O
HBA: 7 RingCount: 2
HBD: 3 FractionCSP3: 0.17
AlogP: 0.8 Num_rotatable_bonds: 2
MolWt: 265.22 Num_heavy_atoms: 19
TPSA: 109.0 NumAromaticRings: 2

Sugarmoiety
SD00066

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