GD145051

Name:

2-{[5-hydroxy-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-2'-oloxy]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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)CO4)C6C)C3)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC23C)OC12CCC(CO)CO2

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0181697

AD58251

Formula: C27H42O5

Smiles:

CC1C2C(CC3(O)C4CC=C5CC(O)CCC5(C)C4CCC23C)OC12CCC(CO)CO2

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	3.8	Num_rotatable_bonds:	1
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0