Glycoside
...
GD025769

Name:
None

Formula:
C24H27O11N

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

Aglycone:
C#CCONC(=O)O.CC(=O)c1c(O)c2ccc(O)c(C)c2oc1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.46
AlogP: 1.56 Num_rotatable_bonds: 7
MolWt: 505.48 Num_heavy_atoms: 36
TPSA: 162.99 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
AD16374
Formula: C12H10O5

Smiles:
CC(=O)c1c(O)c2ccc(O)c(C)c2oc1=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: 1.72 Num_rotatable_bonds: 1
MolWt: 234.21 Num_heavy_atoms: 17
TPSA: 87.74 NumAromaticRings: 2

Sugarmoiety
SD00066

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