GD153383

Name:

2-[(3,5-dihydroxy-2-methyl-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-oloxy}oxan-4-yl)oxy]-5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetate

Formula:

C46H72O17

Smiles:

CC(=O)OC1C(O)COC(OC2C(O)C(C)OC(OC3CC4=CCC5C6CC7OC8(CCC(C)CO8)C(C)C7C6(C)CCC5C4(C)C(O)C3)C2O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC(=O)OC1C(O)COC(OC2C(O)C(C)OC(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Other Identifiers

• CNP0181628

AD06417

Formula: C27H42O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(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