Glycoside
...
GD114087

Name:
None

Formula:
C45H36O8

Smiles:
O=C[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)c1ccccc1

Aglycone:
O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 6
HBD: 0 FractionCSP3: 0.11
AlogP: 7.87 Num_rotatable_bonds: 15
MolWt: 704.78 Num_heavy_atoms: 53
TPSA: 105.2 NumAromaticRings: 6

Unique Aglycone
AD00424
Formula: C19H16

Smiles:
c1ccc(C(c2ccccc2)c2ccccc2)cc1
HBA: 0 RingCount: 3
HBD: 0 FractionCSP3: 0.05
AlogP: 4.87 Num_rotatable_bonds: 3
MolWt: 244.34 Num_heavy_atoms: 19
TPSA: 0.0 NumAromaticRings: 3
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1

Sugarmoiety
SD04296

O=CC(OO)C(OO)C(COO)OO