GD137854

Name:

4,5-dihydroxy-2-{[4-hydroxy-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}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxan-3-yl acetate

Formula:

C46H72O17

Smiles:

CC(=O)OC1C(OC2C(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(C)CO6)C(C)C54)C3)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)OC(C)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC(=O)OC1C(OC2C(O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)OC(C)C(O)C1O

Other Identifiers

• CNP0250063

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