GD139961

Name:

3-(3,4-dihydroxy-1-methoxy-2-methylpentyl)-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-1,2,3,4-tetrahydroanthracen-1-one

Formula:

C54H82O23

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(C)C(O)C(C)O)C5)OC(C)C2O)OC1C

Aglycone:

COC(C(C)C(O)C(C)O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

Sugarmoiety:

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

Other Identifiers

• CNP0330818

AD48873

Formula: C22H28O8

Smiles:

COC(C(C)C(O)C(C)O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

HBA:	8	RingCount:	3
HBD:	6	FractionCSP3:	0.5
AlogP:	1.37	Num_rotatable_bonds:	5
MolWt:	420.46	Num_heavy_atoms:	30
TPSA:	147.68	NumAromaticRings:	2