GD150624

Name:

None

Formula:

C84H89O43

Smiles:

O=C1C=CC(=CC=C(O)OCC2OC(Oc3ccc(C=CC(=O)OCC4OC(Oc5cc(-c6oc7cc(O)cc(=O)c-7cc6OC6OC(COC(=O)CC(=O)O)C(O)C(O)C6O)cc(OC6OC(COC(=O)C=Cc7ccc(OC8OC(COC(O)C=Cc9ccc([OH2+])cc9)C(O)C(O)C8O)cc7)C(O)C(O)C6O)c5O)C(O)C(O)C4O)cc3)C(O)C(O)C2O)C=C1

Aglycone:

COC(=O)C=Cc1ccc(O)cc1.COC(=O)C=Cc1ccc(O)cc1.COC(=O)CC(=O)O.COC(O)=CC=C1C=CC(=O)C=C1.COC(O)C=Cc1ccc([OH2+])cc1.O=c1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)c(O)cc1-2

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0471525

AD00020

Formula: C10H10O3

Smiles:

COC(=O)C=Cc1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.1
AlogP:	1.58	Num_rotatable_bonds:	2
MolWt:	178.19	Num_heavy_atoms:	13
TPSA:	46.53	NumAromaticRings:	1

AD04733

Formula: C4H6O4

Smiles:

COC(=O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.5
AlogP:	-0.37	Num_rotatable_bonds:	2
MolWt:	118.09	Num_heavy_atoms:	8
TPSA:	63.6	NumAromaticRings:	0

AD49236

Formula: C10H10O3

Smiles:

COC(O)=CC=C1C=CC(=O)C=C1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.1
AlogP:	1.65	Num_rotatable_bonds:	2
MolWt:	178.19	Num_heavy_atoms:	13
TPSA:	46.53	NumAromaticRings:	0

AD54048

Formula: C10H13O3

Smiles:

COC(O)C=Cc1ccc([OH2+])cc1

HBA:	3	RingCount:	1
HBD:	3	FractionCSP3:	0.2
AlogP:	1.1	Num_rotatable_bonds:	3
MolWt:	181.21	Num_heavy_atoms:	13
TPSA:	52.36	NumAromaticRings:	1

AD57433

Formula: C15H10O7

Smiles:

O=c1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)c(O)cc1-2

HBA:	7	RingCount:	3
HBD:	5	FractionCSP3:	0.0
AlogP:	1.94	Num_rotatable_bonds:	1
MolWt:	302.24	Num_heavy_atoms:	22
TPSA:	131.36	NumAromaticRings:	1