Glycoside
...
GD108031

Name:
[3,4,5-tris(acetyloxy)-6-({3-hydroxy-4-[2-(pyridin-2-yl)acetyl]phenoxy}methyl)oxan-2-yl]methyl acetate

Formula:
C28H31O12N

Smiles:
CC(=O)OC[C@H]1O[C@@H](COc2ccc(C(=O)Cc3ccccn3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.COc1ccc(C(=O)Cc2ccccn2)c(O)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.43
AlogP: 1.72 Num_rotatable_bonds: 11
MolWt: 573.55 Num_heavy_atoms: 41
TPSA: 173.85 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
AD44388
Formula: C14H13O3N

Smiles:
COc1ccc(C(=O)Cc2ccccn2)c(O)c1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 2.22 Num_rotatable_bonds: 4
MolWt: 243.26 Num_heavy_atoms: 18
TPSA: 59.42 NumAromaticRings: 2

Sugarmoiety
SD00012

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