GD156960

Name:

2-[(2-{[4,5-dihydroxy-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]-15'-oloxy]oxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C45H74O18

Smiles:

CC1OC(OC2C(OC3C(CO)OC(OC4CC5CCC6C(CCC7(C)C6CC6OC8(CCC(CO)CO8)C(C)C67)C5(C)CC4O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC32C)OC12CCC(CO)CO2

Sugarmoiety:

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

Other Identifiers

• CNP0077074

AD52443

Formula: C27H44O5

Smiles:

CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC32C)OC12CCC(CO)CO2

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	3.74	Num_rotatable_bonds:	1
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0