Glycoside
...
GD107616

Name:
[4,5-bis(acetyloxy)-6-[(3-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy]-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C37H42O21

Smiles:
COC1=C(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C(=O)c2ccccc2C1=O

Aglycone:
COC(C)=O.COC(C)=O.COC1=C(O)C(=O)c2ccccc2C1=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 0 FractionCSP3: 0.54
AlogP: 0.56 Num_rotatable_bonds: 14
MolWt: 822.72 Num_heavy_atoms: 58
TPSA: 264.39 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
AD44329
Formula: C11H8O4

Smiles:
COC1=C(O)C(=O)c2ccccc2C1=O
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 1.48 Num_rotatable_bonds: 1
MolWt: 204.18 Num_heavy_atoms: 15
TPSA: 63.6 NumAromaticRings: 1

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O