GD122091

Name:

6-{[6-({6-[(6-{[5-(acetyloxy)-4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}-3-(3,4-dihydroxy-1-methoxy-2-methylpentyl)-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:

C57H84O25

Smiles:

COC(C(C)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(OC(C)=O)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:

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

Sugarmoiety:

CC(=O)OC1C(C)OC(O)CC1OC1CC(O)C(O)C(C)O1.CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O

Other Identifiers

• CNP0289732

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