GD137276

Name:

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

Formula:

C64H92O33Cl2

Smiles:

COCC1OC(OC2OCC3OC4(OCC(O)C5OCOC54)OC3C2OC)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2OC(C)C3OC4(CC(O)C(OC5CC(OC6CC(C)C(OC)C(C)O6)C(OC(=O)c6cc(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3(C)C2O)C1O

Aglycone:

CC1OC2(CC(O)C1O)OC1C(C)OC(O)C(O)C1(C)O2.COC1C(C)CC(O)OC1C.COC1C(O)OCC2OC3(OCC(O)C4OCOC43)OC21.COc1c(C(=O)O)cc(Cl)c(O)c1Cl

Sugarmoiety:

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

Other Identifiers

• CNP0273579

AD01374

Formula: C13H22O8

Smiles:

CC1OC2(CC(O)C1O)OC1C(C)OC(O)C(O)C1(C)O2

HBA:	8	RingCount:	3
HBD:	4	FractionCSP3:	1.0
AlogP:	-1.56	Num_rotatable_bonds:	0
MolWt:	306.31	Num_heavy_atoms:	21
TPSA:	117.84	NumAromaticRings:	0

AD52388

Formula: C12H18O9

Smiles:

COC1C(O)OCC2OC3(OCC(O)C4OCOC43)OC21

HBA:	9	RingCount:	4
HBD:	2	FractionCSP3:	1.0
AlogP:	-2.08	Num_rotatable_bonds:	1
MolWt:	306.27	Num_heavy_atoms:	21
TPSA:	105.07	NumAromaticRings:	0

AD55470

Formula: C8H16O3

Smiles:

COC1C(C)CC(O)OC1C

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	1.0
AlogP:	0.76	Num_rotatable_bonds:	1
MolWt:	160.21	Num_heavy_atoms:	11
TPSA:	38.69	NumAromaticRings:	0

AD55471

Formula: C10H6O4Cl2

Smiles:

COc1c(C(=O)O)cc(Cl)c(O)c1Cl

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.12
AlogP:	2.41	Num_rotatable_bonds:	2
MolWt:	237.04	Num_heavy_atoms:	14
TPSA:	66.76	NumAromaticRings:	1