GD133784

Name:

16'-{[4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,14'-triol

Formula:

C45H72O20

Smiles:

CC1COC2(OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(C)C(O)C(O)C7O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

Aglycone:

CC1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CNP0243711

AD46960

Formula: C27H42O6

Smiles:

CC1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	2.63	Num_rotatable_bonds:	0
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0