GD115761

Name:

6-[(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-5-hydroxy-2-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

Formula:

C54H66O31

Smiles:

CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(COC5OC(C)C(OC(=O)C=Cc6ccc(O)cc6)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O

Aglycone:

O=C(O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(COC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0117750

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

AD00377

Formula: C15H10O7

Smiles:

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

HBA:	7	RingCount:	3
HBD:	5	FractionCSP3:	0.0
AlogP:	1.99	Num_rotatable_bonds:	1
MolWt:	302.24	Num_heavy_atoms:	22
TPSA:	131.36	NumAromaticRings:	3