GD018653

Name:

6-{[6-({6-[(6-{[5-(acetyloxy)-4-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}-3-(1,2-dimethoxy-2-oxoethyl)-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 2-methylpropanoate

Formula:

C57H82O25

Smiles:

COC(=O)[C@H](OC)[C@@H]1Cc2cc3cc(O[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](OC)[C@H](C)O5)[C@H](OC(C)=O)[C@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(=O)C(C)C)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1

Aglycone:

CC(C)C(=O)O.COC(=O)C(OC)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)C2OC(C)=O)OC1C

Other Identifiers

• CHEMBL1817812
• CNP0079506

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

AD11584

Formula: C19H20O8

Smiles:

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

HBA:	8	RingCount:	3
HBD:	4	FractionCSP3:	0.37
AlogP:	1.17	Num_rotatable_bonds:	3
MolWt:	376.36	Num_heavy_atoms:	27
TPSA:	133.52	NumAromaticRings:	2