Glycoside
...
GD095814

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

Formula:
C21H23O9N3

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)n(Cc3ccccc3)c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1cn[nH]c(=O)n1Cc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.43
AlogP: -0.22 Num_rotatable_bonds: 7
MolWt: 461.43 Num_heavy_atoms: 33
TPSA: 145.02 NumAromaticRings: 2

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
AD02369
Formula: C10H9O2N3

Smiles:
O=c1cn[nH]c(=O)n1Cc1ccccc1
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.1
AlogP: -0.02 Num_rotatable_bonds: 2
MolWt: 203.2 Num_heavy_atoms: 15
TPSA: 67.75 NumAromaticRings: 2

Sugarmoiety
SD00105

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