GD114261

Name:

2-{[4-({5-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-3-hydroxy-6-(hydroxymethyl)-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

Formula:

C47H62O27

Smiles:

CC1OC(OC2C(O)C(OC3(CO)OC(CO)C(O)C3OC(=O)C=Cc3ccc(O)cc3)OC(CO)C2OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OC1OC(C)C(OC2OCC(O)(CO)C2O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(O)C(CO)OC(OC3(CO)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OC1OC(C)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

• CNP0348175

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