GD031705

Name:

2-({2-[(6-{[20-(dimethoxymethyl)-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C49H82O18

Smiles:

COC(OC)[C@@]1(C)CC[C@@]23CO[C@]4(CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]4(C)C[C@H]2O)[C@H]3C1

Aglycone:

COC(OC)C1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC1OC(OC2C(OC3COC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2088615
• CNP0079411

AD20406

Formula: C32H54O5

Smiles:

COC(OC)C1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	5.95	Num_rotatable_bonds:	3
MolWt:	518.78	Num_heavy_atoms:	37
TPSA:	68.15	NumAromaticRings:	0