Glycoside
...
GD089114

Name:
[3,4-bis(acetyloxy)-5-(4-butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)oxolan-2-yl]methyl acetate

Formula:
C18H25O9N3

Smiles:
CCCCn1c(=O)cnn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1=O

Aglycone:
CCCCn1c(=O)cn[nH]c1=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.67
AlogP: -0.47 Num_rotatable_bonds: 8
MolWt: 427.41 Num_heavy_atoms: 30
TPSA: 145.02 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD38926
Formula: C7H11O2N3

Smiles:
CCCCn1c(=O)cn[nH]c1=O
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.57
AlogP: -0.27 Num_rotatable_bonds: 3
MolWt: 169.18 Num_heavy_atoms: 12
TPSA: 67.75 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O