GD116060

Name:

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

Formula:

C47H62O27

Smiles:

CC1OC(OC2C(C)OC(OC3C(OC(=O)C=Cc4ccc(O)cc4)C(CO)OC(OC4(COC(=O)C=Cc5ccc(O)cc5)OC(CO)C(O)C4O)C3OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3OC(CO)OC(OC4(CO)OC(CO)C(O)C4O)C3OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0413287

AD00020

Formula: C10H10O3

Smiles:

COC(=O)C=Cc1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.1
AlogP:	1.58	Num_rotatable_bonds:	2
MolWt:	178.19	Num_heavy_atoms:	13
TPSA:	46.53	NumAromaticRings:	1

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