Glycoside
...
GD110467

Name:
[3,4,5-tris(acetyloxy)-6-[(6,7-dichloro-3-ethyl-5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy]oxan-2-yl]methyl acetate

Formula:
C28H26O14Cl2

Smiles:
CCC1=C(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2c(O)c(Cl)c(Cl)c(O)c2C1=O

Aglycone:
CCC1=C(O)C(=O)c2c(O)c(Cl)c(Cl)c(O)c2C1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.46
AlogP: 2.55 Num_rotatable_bonds: 8
MolWt: 633.39 Num_heavy_atoms: 42
TPSA: 198.26 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
AD44644
Formula: C14H8O5Cl2

Smiles:
CCC1=C(O)C(=O)c2c(O)c(Cl)c(Cl)c(O)c2C1=O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.17
AlogP: 3.01 Num_rotatable_bonds: 1
MolWt: 303.1 Num_heavy_atoms: 19
TPSA: 94.83 NumAromaticRings: 1

Sugarmoiety
SD00012

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