Glycoside
...
GD104989

Name:
[3,4,5-tris(acetyloxy)-6-{4-[2-(4-chlorophenyl)acetyl]-3-hydroxyphenoxy}oxan-2-yl]methyl acetate

Formula:
C29H29O12Cl

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Cc1ccc(Cl)cc1)c1ccc(O)cc1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.39
AlogP: 2.93 Num_rotatable_bonds: 10
MolWt: 592.98 Num_heavy_atoms: 41
TPSA: 160.96 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
AD44029
Formula: C15H11O3Cl

Smiles:
O=C(Cc1ccc(Cl)cc1)c1ccc(O)cc1O
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 3.18 Num_rotatable_bonds: 3
MolWt: 262.69 Num_heavy_atoms: 18
TPSA: 57.53 NumAromaticRings: 2

Sugarmoiety
SD00012

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