GD145716

Name:

{6-[(4,5-dihydroxy-2-{[7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate

Formula:

C48H56O28

Smiles:

O=C1C=CC(=C2Oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C=C2OC2OC(CO)C(O)C(O)C2OC2OC(COC(=O)C=Cc3ccc(O)c(OC4OC(CO)C(O)C(O)C4O)c3)C(O)C(O)C2O)C=C1

Aglycone:

COC(=O)C=Cc1ccc(O)c(O)c1.O=C1C=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0298889

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

AD49486

Formula: C15H10O5

Smiles:

O=C1C=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C1

HBA:	5	RingCount:	3
HBD:	3	FractionCSP3:	0.0
AlogP:	2.34	Num_rotatable_bonds:	0
MolWt:	270.24	Num_heavy_atoms:	20
TPSA:	86.99	NumAromaticRings:	1