GD157339

Name:

None

Formula:

C42H43O23

Smiles:

O=C(O)CC(=O)OCC1OC(OC2=CC(O)=CC3OC(c4ccc(O)cc4)=C(OC4OC(COC(=O)C=Cc5ccc([OH2+])cc5)C(O)C(O)C4O)C=C23)C(O)C(O)C1OC(=O)CC(=O)O

Aglycone:

COC(=O)C=Cc1ccc([OH2+])cc1.COC(=O)CC(=O)O.O=C(O)CC(=O)O.OC1=CC2OC(c3ccc(O)cc3)=C(O)C=C2C(O)=C1

Sugarmoiety:

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

Other Identifiers

• CNP0477852

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

AD13454

Formula: C3H4O4

Smiles:

O=C(O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.33
AlogP:	-0.45	Num_rotatable_bonds:	2
MolWt:	104.06	Num_heavy_atoms:	7
TPSA:	74.6	NumAromaticRings:	0

AD45655

Formula: C10H11O3

Smiles:

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

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.31	Num_rotatable_bonds:	2
MolWt:	179.19	Num_heavy_atoms:	13
TPSA:	49.2	NumAromaticRings:	1

AD45989

Formula: C15H12O5

Smiles:

OC1=CC2OC(c3ccc(O)cc3)=C(O)C=C2C(O)=C1

HBA:	5	RingCount:	3
HBD:	4	FractionCSP3:	0.07
AlogP:	2.84	Num_rotatable_bonds:	1
MolWt:	272.26	Num_heavy_atoms:	20
TPSA:	90.15	NumAromaticRings:	1