GD155582

Name:

18-{2-[2,4-dihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)-3-[(2-phenylacetyl)oxy]oxan-2-yl]-3-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}propanamido}-9-hydroxy-13-methoxy-12,14-dimethyl-11-oxooctadeca-2,4,6,14,16-pentaenoic acid

Formula:

C65H95O21N

Smiles:

CC=CC=CC1OC(O)(C(COC2CC(OC)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)O2)C(O)=NCC=CC=C(C)C(OC)C(C)C(=O)CC(O)CC=CC=CC=CC(=O)O)C(OC(=O)Cc2ccccc2)C(O)C1(C)C

Aglycone:

C=CC=CC.COC(C(C)=CC=CCN=C(O)CCO)C(C)C(=O)CC(O)CC=CC=CC=CC(=O)O.O=C(O)Cc1ccccc1

Sugarmoiety:

CC1(C)C(O)OC(O)(O)C(O)C1O.COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

• CNP0236439

AD00163

Formula: C5H8

Smiles:

C=CC=CC

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.2
AlogP:	1.75	Num_rotatable_bonds:	1
MolWt:	68.12	Num_heavy_atoms:	5
TPSA:	0.0	NumAromaticRings:	0

AD00909

Formula: C8H8O2

Smiles:

O=C(O)Cc1ccccc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.12
AlogP:	1.31	Num_rotatable_bonds:	2
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	37.3	NumAromaticRings:	1

AD61704

Formula: C24H35O7N

Smiles:

COC(C(C)=CC=CCN=C(O)CCO)C(C)C(=O)CC(O)CC=CC=CC=CC(=O)O

HBA:	8	RingCount:	0
HBD:	4	FractionCSP3:	0.46
AlogP:	2.94	Num_rotatable_bonds:	16
MolWt:	449.54	Num_heavy_atoms:	32
TPSA:	136.65	NumAromaticRings:	0