GD137016

Name:

6-(6-{[2-({6-[7-(acetyloxy)-7'-(1-hydroxyethyl)-6'-methyl-octahydro-2'H,3aH-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-7'-oloxy]-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl}oxy)-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy}-4,6',7a-trimethyl-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,2'-oxan]-4'-oloxy)-4-hydroxy-2-methyloxan-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate

Formula:

C61H86O32Cl2

Smiles:

COCC1OC(OC2OCC3OC4(OC3C2OC(C)=O)OC(C)C(O)(C(C)O)C2OCOC24)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(CC(O)C(OC5CC(O)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3C(C)O2)C1O

Aglycone:

CC(=O)OC1C(O)OCC2OC3(OC21)OC(C)C(O)(C(C)O)C1OCOC13.CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2.COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O

Sugarmoiety:

CC1OC(O)CC(O)C1O.COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(O)C1O

Other Identifiers

• CNP0206233

AD01435

Formula: C11H8O4Cl2

Smiles:

COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.22
AlogP:	2.71	Num_rotatable_bonds:	2
MolWt:	251.06	Num_heavy_atoms:	15
TPSA:	66.76	NumAromaticRings:	1

AD23887

Formula: C13H22O7

Smiles:

CC1OC2(CC(O)C1O)OC1C(C)OC(O)CC1(C)O2

HBA:	7	RingCount:	3
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.53	Num_rotatable_bonds:	0
MolWt:	290.31	Num_heavy_atoms:	20
TPSA:	97.61	NumAromaticRings:	0

AD55372

Formula: C16H24O11

Smiles:

CC(=O)OC1C(O)OCC2OC3(OC21)OC(C)C(O)(C(C)O)C1OCOC13

HBA:	11	RingCount:	4
HBD:	3	FractionCSP3:	0.94
AlogP:	-2.02	Num_rotatable_bonds:	2
MolWt:	392.36	Num_heavy_atoms:	27
TPSA:	142.37	NumAromaticRings:	0