GD146473

Name:

5-({6-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-15'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula:

C56H88O27

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(OC(=O)CC(C)(O)CC(=O)O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C

Aglycone:

CC(O)(CC(=O)O)CC(=O)O.CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0285817

AD13433

Formula: C27H42O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.68	Num_rotatable_bonds:	0
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0

AD17237

Formula: C6H10O5

Smiles:

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

HBA:	5	RingCount:	0
HBD:	3	FractionCSP3:	0.67
AlogP:	-0.31	Num_rotatable_bonds:	4
MolWt:	162.14	Num_heavy_atoms:	11
TPSA:	94.83	NumAromaticRings:	0