Glycoside
...
GD005945

Name:
None

Formula:
C52H46O12

Smiles:
COc1ccc(C=CC(=O)OC(C(=O)OC(c2ccccc2)c2ccccc2)C(OC(=O)C=Cc2ccc(OC)c(OC)c2)C(=O)OC(c2ccccc2)c2ccccc2)cc1OC

Aglycone:
COc1ccc(C=CC=O)cc1OC.COc1ccc(C=CC=O)cc1OC.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1

Sugarmoiety:
O=C(OO)C(OO)C(OO)C(=O)OO

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 0 FractionCSP3: 0.15
AlogP: 8.94 Num_rotatable_bonds: 19
MolWt: 862.93 Num_heavy_atoms: 64
TPSA: 142.12 NumAromaticRings: 6

Unique Aglycone
AD03382
Formula: C11H12O3

Smiles:
COc1ccc(C=CC=O)cc1OC
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.18
AlogP: 1.92 Num_rotatable_bonds: 4
MolWt: 192.21 Num_heavy_atoms: 14
TPSA: 35.53 NumAromaticRings: 1
AD04970
Formula: C13H12

Smiles:
c1ccc(Cc2ccccc2)cc1
HBA: 0 RingCount: 2
HBD: 0 FractionCSP3: 0.08
AlogP: 3.28 Num_rotatable_bonds: 2
MolWt: 168.24 Num_heavy_atoms: 13
TPSA: 0.0 NumAromaticRings: 2

Sugarmoiety
SD01065

O=C(OO)C(OO)C(OO)C(=O)OO