GD147800

Name:

2-{[4-hydroxy-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-20'-oloxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C46H74O18

Smiles:

CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CC(O)C5C4CCC4(C)C5CC5OC6(CCC(C)(CO)CO6)C(C)C54)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)CO2

Sugarmoiety:

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

Other Identifiers

• CNP0075923

AD50600

Formula: C28H44O5

Smiles:

CC1C2C(CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)CO2

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	4.05	Num_rotatable_bonds:	1
MolWt:	460.66	Num_heavy_atoms:	33
TPSA:	79.15	NumAromaticRings:	0