Glycoside
...
GD107580

Name:
[4,5-bis(acetyloxy)-6-[(5-hydroxy-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:
C36H40O21

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](COC(C)=O)O[C@H](OC3=CC(=O)c4c(O)cccc4C3=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COC(C)=O.O=C1C(O)=CC(=O)c2c(O)cccc21

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: 1 FractionCSP3: 0.53
AlogP: 0.29 Num_rotatable_bonds: 13
MolWt: 808.7 Num_heavy_atoms: 57
TPSA: 275.39 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
AD44326
Formula: C10H6O4

Smiles:
O=C1C(O)=CC(=O)c2c(O)cccc21
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.21 Num_rotatable_bonds: 0
MolWt: 190.15 Num_heavy_atoms: 14
TPSA: 74.6 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