GD154711

Name:

5-({6-[(10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-11-(4-hydroxyphenyl)-9-oxa-19-azapentacyclo[10.7.0.0²,¹⁰.0³,⁸.0¹³,¹⁸]nonadeca-1(19),3,5,7,11,13,15,17-octaen-6-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula:

C47H53O24N

Smiles:

CC(O)(CC(=O)O)CC(=O)OCC1OC(Oc2cc(O)c3c(c2)OC2(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(c4ccc(O)cc4)=C4C(=Nc5ccccc54)C32)C(O)C(O)C1O

Aglycone:

COC(=O)CC(C)(O)CC(=O)O.Oc1ccc(C2=C3C(=Nc4ccccc43)C3c4c(O)cc(O)cc4OC23O)cc1

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0406705

AD01854

Formula: C7H12O5

Smiles:

COC(=O)CC(C)(O)CC(=O)O

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.71
AlogP:	-0.22	Num_rotatable_bonds:	4
MolWt:	176.17	Num_heavy_atoms:	12
TPSA:	83.83	NumAromaticRings:	0

AD50338

Formula: C23H15O5N

Smiles:

Oc1ccc(C2=C3C(=Nc4ccccc43)C3c4c(O)cc(O)cc4OC23O)cc1

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.09
AlogP:	3.68	Num_rotatable_bonds:	1
MolWt:	385.38	Num_heavy_atoms:	29
TPSA:	102.51	NumAromaticRings:	3