Glycoside
...
GD106958

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

Formula:
C22H24O10N3Br

Smiles:
COc1ccc(Cn2c(=O)cnn([C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c2=O)cc1Br

Aglycone:
COC(C)=O.COc1ccc(Cn2c(=O)cn[nH]c2=O)cc1Br

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.45
AlogP: 0.55 Num_rotatable_bonds: 8
MolWt: 570.35 Num_heavy_atoms: 36
TPSA: 154.25 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
AD44222
Formula: C11H10O3N3Br

Smiles:
COc1ccc(Cn2c(=O)cn[nH]c2=O)cc1Br
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: 0.75 Num_rotatable_bonds: 3
MolWt: 312.12 Num_heavy_atoms: 18
TPSA: 76.98 NumAromaticRings: 2

Sugarmoiety
SD00105

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