GD150727

Name:

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

Formula:

C58H84O26

Smiles:

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

Aglycone:

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

Other Identifiers

• CNP0143909

AD00155

Formula: C3H6O2

Smiles:

CCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	1
MolWt:	74.08	Num_heavy_atoms:	5
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