GD134894

Name:

6-{[6-({6-[(6-{[4-(acetyloxy)-5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-7-methyl-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl)oxy]-3-hydroxy-2-methyloxan-4-yl}oxy)-3-hydroxy-2-methyloxan-4-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate

Formula:

C56H80O26

Smiles:

COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(O)C(C)O5)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.CC(=O)OC1CC(O)OC(C)C1OC1CC(O)C(O)C(C)O1.COC(O)C(=O)C(O)C(C)O

Other Identifiers

• CNP0342134

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