GD121912

Name:

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

Formula:

C57H92O28

Smiles:

CC1OC(OC2C(CO)OC(OC3C(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC6OC7(CCC(C)(COC8OC(CO)C(O)C(O)C8O)O7)C(C)C65)C4)OC(CO)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(O)OC(CO)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0204424

AD23635

Formula: C27H42O4

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.83	Num_rotatable_bonds:	1
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0