GD130170

Name:

7-(3-hydroxy-5-{8-[(1-hydroxy-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}-2-[2,3,4-trihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]propylidene)amino]-3-methoxy-4-methylocta-4,6-dien-2-yl}oxolan-2-yl)hepta-2,4,6-trienoic acid

Formula:

C57H89O20N

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)C2CC(O)C(C=CC=CC=CC(=O)O)O2)C(O)C(O)C1(C)C

Aglycone:

C=CC=CC.COC(C(C)=CC=CCN=C(O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1

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

• CNP0342574

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

AD46606

Formula: C24H35O7N

Smiles:

COC(C(C)=CC=CCN=C(O)CCO)C(C)C1CC(O)C(C=CC=CC=CC(=O)O)O1

HBA:	8	RingCount:	1
HBD:	4	FractionCSP3:	0.5
AlogP:	2.75	Num_rotatable_bonds:	13
MolWt:	449.54	Num_heavy_atoms:	32
TPSA:	128.81	NumAromaticRings:	0