GD149412

Name:

2-{[5-hydroxy-6-(hydroxymethyl)-2-[4'-methoxy-5,7',9',13'-tetramethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C51H82O23

Smiles:

COC12CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C(C)C1(CCC(C)(COC3OC(CO)C(O)C(O)C3O)O1)O2

Aglycone:

COC12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C(C)C1(CCC(C)(CO)O1)O2

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0164756

AD57938

Formula: C28H44O5

Smiles:

COC12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C(C)C1(CCC(C)(CO)O1)O2

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.8	Num_rotatable_bonds:	2
MolWt:	460.66	Num_heavy_atoms:	33
TPSA:	68.15	NumAromaticRings:	0