GD125148

Name:

None

Formula:

C75H83O42

Smiles:

CC1OC(OC2=C(c3cc(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)c(O)c(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)c3)OC3C=C(O)C=C(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)C3=C2)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1OC1OC(C[OH2+])C(O)C(O)C1O

Aglycone:

COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)CC(=O)O.O=C(O)C=Cc1ccc(O)cc1.OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1OC1OC(C[OH2+])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

• CNP0447588

AD00021

Formula: C9H8O3

Smiles:

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

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	1.49	Num_rotatable_bonds:	2
MolWt:	164.16	Num_heavy_atoms:	12
TPSA:	57.53	NumAromaticRings:	1

AD03431

Formula: C10H10O4

Smiles:

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

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.28	Num_rotatable_bonds:	2
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	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

AD45076

Formula: C15H12O7

Smiles:

OC1=CC2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1

HBA:	7	RingCount:	3
HBD:	6	FractionCSP3:	0.07
AlogP:	2.25	Num_rotatable_bonds:	1
MolWt:	304.25	Num_heavy_atoms:	22
TPSA:	130.61	NumAromaticRings:	1