GD016793

Name:

16'-{[4,5-dihydroxy-6-(hydroxymethyl)-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-3,8',10'-triol

Formula:

C39H62O15

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(OC[C@H](C)C[C@H]8O)[C@H](C)[C@@]7(O)[C@]6(C)[C@@H](O)C[C@H]54)C3)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CC(O)C4(C)C3(O)C2C)C(O)C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL451425
• CNP0274083

AD12048

Formula: C27H42O6

Smiles:

CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CC(O)C4(C)C3(O)C2C)C(O)C1

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	2.77	Num_rotatable_bonds:	0
MolWt:	462.63	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0