GD121143

Name:

6-({6-[(6-{[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-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-one

Formula:

C52H74O24

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(OC3CC(C)(O)C(=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1

Aglycone:

CC1OC(O)CC(C)(O)C1=O.Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:

CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O

Other Identifiers

• CNP0138938

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

AD48732

Formula: C7H12O4

Smiles:

CC1OC(O)CC(C)(O)C1=O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.86
AlogP:	-0.57	Num_rotatable_bonds:	0
MolWt:	160.17	Num_heavy_atoms:	11
TPSA:	66.76	NumAromaticRings:	0