GD157521

Name:

[5-(acetyloxy)-6-{[3-(acetyloxy)-5-hydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-2-methyloxan-4-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetate

Formula:

C46H60O22

Smiles:

COc1ccc(C2Oc3c(CC=C(C)C)c(OC4CC(CO)C(O)C(O)C4O)cc(O)c3C(=O)C2OC2OC(C)C(OC(C)=O)C(OC3OC(COC(C)=O)C(O)C(O)C3OC(C)=O)C2O)cc1

Aglycone:

COC(C)=O.COc1ccc(C2Oc3c(CC=C(C)C)c(OC4CC(CO)C(O)C(O)C4O)cc(O)c3C(=O)C2O)cc1

Sugarmoiety:

CC(=O)OCC1OC(OC2OC(C)OC(O)C2O)C(OC(C)=O)C(O)C1O

Other Identifiers

• CNP0382866

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD62268

Formula: C28H34O10

Smiles:

COc1ccc(C2Oc3c(CC=C(C)C)c(OC4CC(CO)C(O)C(O)C4O)cc(O)c3C(=O)C2O)cc1

HBA:	10	RingCount:	4
HBD:	6	FractionCSP3:	0.46
AlogP:	1.43	Num_rotatable_bonds:	7
MolWt:	530.57	Num_heavy_atoms:	38
TPSA:	166.14	NumAromaticRings:	2