GD033453

Name:

None

Formula:

C43H46O15

Smiles:

COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OC(=O)O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]2[C@H](C)[C@@H](OC(C)=O)C[C@@H]12

Aglycone:

COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2C.COC(c1ccccc1)(c1ccccc1)c1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2238092

AD01054

Formula: C20H18O

Smiles:

COC(c1ccccc1)(c1ccccc1)c1ccccc1

HBA:	1	RingCount:	3
HBD:	0	FractionCSP3:	0.1
AlogP:	4.62	Num_rotatable_bonds:	4
MolWt:	274.36	Num_heavy_atoms:	21
TPSA:	9.23	NumAromaticRings:	3

AD02417

Formula: C13H18O6

Smiles:

COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2C

HBA:	6	RingCount:	2
HBD:	1	FractionCSP3:	0.69
AlogP:	0.6	Num_rotatable_bonds:	2
MolWt:	270.28	Num_heavy_atoms:	19
TPSA:	82.06	NumAromaticRings:	0