GD116779

Name:

[6-(4-{3-[(3,4-dihydroxy-6-{[7-hydroxy-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-({[3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-3-oxoprop-1-en-1-yl}-2-hydroxyphenoxy)-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:

C79H90O45

Smiles:

COC1=CC(=C2Oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C=C2OC2OC(COC(=O)C=Cc3ccc(OC4OC(COC(=O)C=Cc5ccc(O)c(OC6OC(CO)C(O)C(O)C6O)c5)C(O)C(O)C4O)c(O)c3)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=CC1=O

Aglycone:

COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1.COC1=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=CC1=O

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0163550

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

AD46446

Formula: C16H12O6

Smiles:

COC1=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=CC1=O

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.06
AlogP:	2.31	Num_rotatable_bonds:	1
MolWt:	300.27	Num_heavy_atoms:	22
TPSA:	96.22	NumAromaticRings:	1