Glycoside
...
GD108765

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

Formula:
C26H28O14

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c(O)c(C)c(C)c(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1c(C)c(O)c2c(c1O)C(=O)C=C(O)C2=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: 1.08 Num_rotatable_bonds: 7
MolWt: 564.5 Num_heavy_atoms: 40
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
AD44485
Formula: C12H10O5

Smiles:
Cc1c(C)c(O)c2c(c1O)C(=O)C=C(O)C2=O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.17
AlogP: 1.54 Num_rotatable_bonds: 0
MolWt: 234.21 Num_heavy_atoms: 17
TPSA: 94.83 NumAromaticRings: 1

Sugarmoiety
SD00012

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