GD010266

Name:

6-{[7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6-{[4-({4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-4,10-dihydroxy-5-oxo-5,6,7,8-tetrahydroanthracen-2-yl]oxy}-3-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-2-methyloxan-4-yl acetate

Formula:

C54H78O25

Smiles:

COC1C(O)CC(OC2C(C)OC(Oc3cc(O)c4c(O)c5c(cc4c3)C[C@H]([C@H](OC)C(=O)[C@H](O)[C@H](C)O)[C@H](OC3CC(OC4CC(OC6CC(C)(O)C(O)C(C)O6)C(O)C(C)O4)C(O)C(C)O3)C5=O)CC2OC(C)=O)OC1C

Aglycone:

O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1O

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(C)OC(O)CC2OC(C)=O)OC1C

Other Identifiers

• CHEMBL1972822
• CNP0297496

AD00371

Formula: C14H12O5

Smiles:

O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1O

HBA:	5	RingCount:	3
HBD:	4	FractionCSP3:	0.21
AlogP:	1.45	Num_rotatable_bonds:	0
MolWt:	260.24	Num_heavy_atoms:	19
TPSA:	97.99	NumAromaticRings:	2