Glycoside
...
GD154927

Name:
(2-{[3,4,5-tris(acetyloxy)-6-[(benzoyloxy)methyl]oxan-2-yl]oxy}phenyl)methyl 2-(acetyloxy)-6-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}benzoate

Formula:
C49H52O24

Smiles:
CC(=O)OCC1OC(Oc2cccc(OC(C)=O)c2C(=O)OCc2ccccc2OC2OC(COC(=O)c3ccccc3)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)Oc1cccc(O)c1C(=O)OCc1ccccc1O.COC(=O)c1ccccc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 0 FractionCSP3: 0.43
AlogP: 3.19 Num_rotatable_bonds: 19
MolWt: 1024.93 Num_heavy_atoms: 73
TPSA: 299.92 NumAromaticRings: 3

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
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
AD61491
Formula: C16H14O6

Smiles:
CC(=O)Oc1cccc(O)c1C(=O)OCc1ccccc1O
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.12
AlogP: 2.38 Num_rotatable_bonds: 4
MolWt: 302.28 Num_heavy_atoms: 22
TPSA: 93.06 NumAromaticRings: 2

Sugarmoiety
SD00731

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