GD150765

Name:

2-{[4-({4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-6-({5-hydroxy-4-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-7-methyl-3-(2,3,4-trihydroxy-1-methoxypentyl)-1,2,3,4-tetrahydroanthracen-1-one

Formula:

C53H80O24

Smiles:

COC1C(O)CC(OC2CC(Oc3cc4cc5c(c(O)c4c(O)c3C)C(=O)C(OC3CC(OC4CC(OC6CC(C)(O)C(O)C(C)O6)C(O)C(C)O4)C(O)C(C)O3)C(C(OC)C(O)C(O)C(C)O)C5)OC(C)C2O)OC1C

Aglycone:

Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(O)C(O)C(C)O.COC1C(O)CC(OC2CC(O)OC(C)C2O)OC1C

Other Identifiers

• CNP0351470

AD00382

Formula: C15H14O5

Smiles:

Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

HBA:	5	RingCount:	3
HBD:	4	FractionCSP3:	0.27
AlogP:	1.75	Num_rotatable_bonds:	0
MolWt:	274.27	Num_heavy_atoms:	20
TPSA:	97.99	NumAromaticRings:	2