GD128663

Name:

2-({6-[5,5-bis(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-2'-oloxy]-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C45H72O19

Smiles:

CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C6C(CC54O)OC4(CCC(CO)(CO)O4)C6C)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC23C)OC12CCC(CO)(CO)O2

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0408358

AD52118

Formula: C27H42O6

Smiles:

CC1C2C(CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC23C)OC12CCC(CO)(CO)O2

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	2.92	Num_rotatable_bonds:	2
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0