Glycoside
...
GD109165

Name:
[3,4,5-tris(acetyloxy)-6-{4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetyl]-3-hydroxyphenoxy}oxan-2-yl]methyl acetate

Formula:
C31H34O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Cc1ccc2c(c1)OCCCO2)c1ccc(O)cc1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 1 FractionCSP3: 0.45
AlogP: 2.44 Num_rotatable_bonds: 10
MolWt: 630.6 Num_heavy_atoms: 45
TPSA: 179.42 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
AD44513
Formula: C17H16O5

Smiles:
O=C(Cc1ccc2c(c1)OCCCO2)c1ccc(O)cc1O
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.24
AlogP: 2.68 Num_rotatable_bonds: 3
MolWt: 300.31 Num_heavy_atoms: 22
TPSA: 75.99 NumAromaticRings: 2

Sugarmoiety
SD00012

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