GD156425

Name:

2-{[5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-[7',9',13'-trimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C50H80O23

Smiles:

CC1OC(OC2C(OC3CC(O)CC4=CCC5C6CC7OC8(CCC(COC9OC(CO)C(O)C(O)C9O)CO8)C(C)C7C6(C)CCC5C43C)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)OC12CCC(CO)CO2

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0121917

AD61941

Formula: C27H42O5

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)OC12CCC(CO)CO2

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	3.66	Num_rotatable_bonds:	1
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0