GD151901

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 butanoate

Formula:

C59H88O25

Smiles:

CCCC(=O)OC1C(C)OC(OC2CC(OC3CC(OC4C(=O)c5c(cc6cc(OC7CC(OC8CC(O)C(O)C(C)O8)C(OC(C)=O)C(C)O7)c(C)c(O)c6c5O)CC4C(OC)C(C)C(O)C(C)O)OC(C)C3O)OC(C)C2O)CC1(C)O

Aglycone:

CCCC(=O)O.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.CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O

Other Identifiers

• CNP0136489

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

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