GD130385

Name:

7-[5-(8-{2-[2,4-dihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]-3-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)propanamido}-3-methoxy-4-methylocta-4,6-dien-2-yl)-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid

Formula:

C50H77O16N

Smiles:

CC=CC=CC1OC(O)(C(COC2CC(OC)C(OC3CC(OC)C(O)C(C)O3)C(C)O2)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)CC(O)C1(C)C

Aglycone:

CC=CC=CC1OC(O)(C(CO)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)CC(O)C1(C)C

Sugarmoiety:

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

• CNP0119033

AD50437

Formula: C36H53O10N

Smiles:

CC=CC=CC1OC(O)(C(CO)C(O)=NCC=CC=C(C)C(OC)C(C)C2CC(O)C(C=CC=CC=CC(=O)O)O2)CC(O)C1(C)C

HBA:	11	RingCount:	2
HBD:	6	FractionCSP3:	0.56
AlogP:	3.97	Num_rotatable_bonds:	16
MolWt:	659.82	Num_heavy_atoms:	47
TPSA:	178.5	NumAromaticRings:	0