GD145512

Name:

2-{[5-hydroxy-4-methoxy-6-({4-methoxy-6-[(4-methoxy-6-{[4-methoxy-2-methyl-6-({10,14,16-trimethyl-17,20,21-trioxahexacyclo[14.4.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]henicos-4-en-7-yl}oxy)oxan-3-yl]oxy}-2-methyloxan-3-yl)oxy]-2-methyloxan-3-yl}oxy)-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C55H88O22

Smiles:

COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C5C6COC5(C)OC43O6)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:

CC12OCC3OC4(O1)C1CC=C5CC(O)CCC5(C)C1CCC4(C)C32

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0196793

AD17343

Formula: C21H30O4

Smiles:

CC12OCC3OC4(O1)C1CC=C5CC(O)CCC5(C)C1CCC4(C)C32

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.9
AlogP:	3.39	Num_rotatable_bonds:	0
MolWt:	346.47	Num_heavy_atoms:	25
TPSA:	47.92	NumAromaticRings:	0