GD151328

Name:

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[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]oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C51H82O22

Smiles:

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

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0320291

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