GD135694

Name:

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

Formula:

C59H86O25

Smiles:

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

Aglycone:

CC(C)C(=O)O.COC(C(=O)C(O)C(C)C)C1Cc2cc3cc(O)cc(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(OC2C(C)OC(O)CC2OC(C)=O)OC1C

Other Identifiers

• CNP0152655

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD54867

Formula: C21H24O8

Smiles:

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

HBA:	8	RingCount:	3
HBD:	5	FractionCSP3:	0.43
AlogP:	1.27	Num_rotatable_bonds:	5
MolWt:	404.42	Num_heavy_atoms:	29
TPSA:	144.52	NumAromaticRings:	2