GD129140

Name:

2-{[4-hydroxy-6-(hydroxymethyl)-2-{[20'-(hydroxymethyl)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-yl]methyl}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-2,6-dimethyloxane-3,4,5-triol

Formula:

C48H78O16

Smiles:

CC1CCC2(OC1)OC1CC3C4C(CO)C=C5CC(CC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6(C)OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4C(CO)C=C5CC(C)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(OC3(C)OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0088250

AD52310

Formula: C29H46O3

Smiles:

CC1CCC2(OC1)OC1CC3C4C(CO)C=C5CC(C)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	6.21	Num_rotatable_bonds:	1
MolWt:	442.68	Num_heavy_atoms:	32
TPSA:	38.69	NumAromaticRings:	0