Glycoside
...
GD005048

Name:
None

Formula:
C25H30O12N2

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

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.48
AlogP: 0.08 Num_rotatable_bonds: 9
MolWt: 550.52 Num_heavy_atoms: 39
TPSA: 195.25 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
AD04325
Formula: C13H13O6N

Smiles:
Cc1c(O)ccc2c(O)c(C(=O)NCCO)c(=O)oc12
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.23
AlogP: 0.23 Num_rotatable_bonds: 3
MolWt: 279.25 Num_heavy_atoms: 20
TPSA: 120.0 NumAromaticRings: 2

Sugarmoiety
SD00066

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