Glycoside
...
GD120860

Name:
4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-{[4,5-bis(acetyloxy)-3-{[3,4-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxyoxan-2-yl]oxy}-6-methoxyoxan-2-yl]methoxy}oxolan-3-yl benzoate

Formula:
C49H54O23

Smiles:
COC1OC(COC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC2OC(COC(C)=O)C(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(=O)c1ccccc1.COC(C)=O.O=C(O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:
COC1OC(COC2OC(O)C(O)C2O)C(OC2OC(O)C(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 1 FractionCSP3: 0.47
AlogP: 2.17 Num_rotatable_bonds: 19
MolWt: 1010.95 Num_heavy_atoms: 72
TPSA: 286.01 NumAromaticRings: 3

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
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

Sugarmoiety
SD05688

COC1OC(COC2OC(O)C(O)C2O)C(OC2OC(O)C(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O