GD036977

Name:

None

Formula:

C46H58O25

Smiles:

CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@H](OC(=O)C=Cc3ccc(O)c(O)c3)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](CO)O[C@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)O.O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4760161

AD00127

Formula: C9H8O4

Smiles:

O=C(O)C=Cc1ccc(O)c(O)c1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	1.2	Num_rotatable_bonds:	2
MolWt:	180.16	Num_heavy_atoms:	13
TPSA:	77.76	NumAromaticRings:	1

AD00128

Formula: C8H10O3

Smiles:

OCCc1ccc(O)c(O)c1

HBA:	3	RingCount:	1
HBD:	3	FractionCSP3:	0.25
AlogP:	0.63	Num_rotatable_bonds:	2
MolWt:	154.16	Num_heavy_atoms:	11
TPSA:	60.69	NumAromaticRings:	1

AD03515

Formula: C11H14O6

Smiles:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)O

HBA:	6	RingCount:	1
HBD:	2	FractionCSP3:	0.45
AlogP:	0.43	Num_rotatable_bonds:	3
MolWt:	242.23	Num_heavy_atoms:	17
TPSA:	93.06	NumAromaticRings:	0