GD145327

Name:

6-[(4,5-dihydroxy-6-{[3-hydroxy-2-({4-hydroxy-6-[7'-(1-hydroxyethyl)-7-methoxy-octahydro-2'H,3aH-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-7'-oloxy]-5-methoxy-2-(methoxymethyl)oxan-3-yl}oxy)-5-methoxy-6-methyloxan-4-yl]oxy}-2,4-dimethyloxan-3-yl)oxy]-5''-hydroxy-4,4',6''-trimethyl-octahydro-3aH-dispiro[bis([1,3]dioxolo[4,5-c]pyran)-2,6':2',2''-oxan]-4''-yl 9-phenylnona-2,4,6,8-tetraenoate

Formula:

C69H98O33

Smiles:

COCC1OC(OC2OCC3OC4(OCC(O)(C(C)O)C5OCOC54)OC3C2OC)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2OC(C)C(OC3CC4OC5(CC6OC7(CC(OC(=O)C=CC=CC=CC=Cc8ccccc8)C(O)C(C)O7)OC6C(C)O5)OC4C(C)O3)C(C)(O)C2O)C1O

Aglycone:

CC1OC2(CC(OC(=O)C=CC=CC=CC=Cc3ccccc3)C1O)OC1CC3(OC(C)C1O2)OC1CC(O)OC(C)C1O3.COC1C(O)OCC2OC3(OCC(O)(C(C)O)C4OCOC43)OC21

Sugarmoiety:

COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2OC(C)C(O)C(C)(O)C2O)C1O

Other Identifiers

• CNP0328626

AD58345

Formula: C33H40O11

Smiles:

CC1OC2(CC(OC(=O)C=CC=CC=CC=Cc3ccccc3)C1O)OC1CC3(OC(C)C1O2)OC1CC(O)OC(C)C1O3

HBA:	11	RingCount:	6
HBD:	2	FractionCSP3:	0.55
AlogP:	3.26	Num_rotatable_bonds:	6
MolWt:	612.67	Num_heavy_atoms:	44
TPSA:	131.37	NumAromaticRings:	1

AD58346

Formula: C14H22O10

Smiles:

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

HBA:	10	RingCount:	4
HBD:	3	FractionCSP3:	1.0
AlogP:	-2.33	Num_rotatable_bonds:	2
MolWt:	350.32	Num_heavy_atoms:	24
TPSA:	125.3	NumAromaticRings:	0