GD137927

Name:

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

Formula:

C52H76O24

Smiles:

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

Aglycone:

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

Sugarmoiety:

CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2C(O)CC(OC3CC(O)OC(C)C3O)OC2C)OC1C

Other Identifiers

• CNP0334739

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