GD128336

Name:

6-[(3-{[3-(4-{[3-(acetyloxy)-4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoyl]oxy}-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy]-2-[(benzoyloxy)methyl]-4,5-dihydroxyoxan-3-yl benzoate

Formula:

C50H60O26

Smiles:

COc1cc(C=CC(=O)OC2C(O)C(CO)OC2(CO)OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(O)C2O)ccc1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(C)=O

Aglycone:

COC(=O)c1ccccc1.COc1cc(C=CC(=O)O)ccc1O.O=C(O)c1ccccc1

Sugarmoiety:

CC(=O)OC1C(O)OC(C)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0191413

AD00002

Formula: C7H6O2

Smiles:

O=C(O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.38	Num_rotatable_bonds:	1
MolWt:	122.12	Num_heavy_atoms:	9
TPSA:	37.3	NumAromaticRings:	1

AD00175

Formula: C10H10O4

Smiles:

COc1cc(C=CC(=O)O)ccc1O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.1
AlogP:	1.5	Num_rotatable_bonds:	3
MolWt:	194.19	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	1

AD00480

Formula: C8H8O2

Smiles:

COC(=O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.47	Num_rotatable_bonds:	1
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	26.3	NumAromaticRings:	1