GD149676

Name:

2-{[4-hydroxy-6-(hydroxymethyl)-2-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C45H74O18

Smiles:

CC1OC(OC2C(CO)OC(OC3CC4CCC5C(CCC6(C)C5CC5OC7(CCC(CO)CO7)C(C)C56)C4(C)CC3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0231520

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