GD147307

Name:

5-({6-[(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl}oxy)-3-methyl-5-oxopentanoic acid

Formula:

C51H80O19

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(OC7OC(C)C(OC(=O)CC(C)CC(=O)O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC(CC(=O)O)CC(=O)O.CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0127377

AD00005

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0

AD59000

Formula: C6H10O4

Smiles:

CC(CC(=O)O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.67
AlogP:	0.57	Num_rotatable_bonds:	4
MolWt:	146.14	Num_heavy_atoms:	10
TPSA:	74.6	NumAromaticRings:	0