GD147647

Name:

16'-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3',8',15'-triol

Formula:

C50H80O25

Smiles:

CC1CCC2(OC1)OC1C(O)C3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1(O)C2C

Aglycone:

CC1CCC2(OC1)OC1C(O)C3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C1(O)C2C

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

• CNP0416325

AD59121

Formula: C27H42O6

Smiles:

CC1CCC2(OC1)OC1C(O)C3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C1(O)C2C

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	2.77	Num_rotatable_bonds:	0
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0