Glycoside
...
GD106813

Name:
[3,4,5-tris(acetyloxy)-6-{4-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl}oxan-2-yl]methyl acetate

Formula:
C25H28O12N3Br

Smiles:
COc1ccc(Cn2c(=O)cnn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(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)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 0 FractionCSP3: 0.48
AlogP: 0.48 Num_rotatable_bonds: 9
MolWt: 642.41 Num_heavy_atoms: 41
TPSA: 180.55 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
SD00012

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