GD148865

Name:

2-[(3,4-dihydroxy-5-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-8'-oloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}oxolan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C50H80O22

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0189252

AD05155

Formula: C27H42O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.83	Num_rotatable_bonds:	0
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0