GD149455

Name:

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

Formula:

C57H84O25

Smiles:

COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)c(C)c(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.Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3

Sugarmoiety:

CC1OC(O)CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2C(O)CC(O)OC2C)OC1C

Other Identifiers

• CNP0229906

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

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