GD151191

Name:

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

Formula:

C52H60O27

Smiles:

CC(=O)OC1C(C)OC(OC2C(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)OC(COC3OC(C)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)C(OC(C)=O)C1O

Aglycone:

O=C(O)C=Cc1ccc(O)cc1.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OC(COC3OC(C)C(O)C(O)C3O)C(O)C2O)C(OC(C)=O)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0207896

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

AD00022

Formula: C15H10O6

Smiles:

O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

HBA:	6	RingCount:	3
HBD:	4	FractionCSP3:	0.0
AlogP:	2.28	Num_rotatable_bonds:	1
MolWt:	286.24	Num_heavy_atoms:	21
TPSA:	111.13	NumAromaticRings:	3