GD022014

Name:

{2-hydroxy-10-[(4-hydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-20-yl}methyl acetate

Formula:

C60H98O27

Smiles:

CC(=O)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]9O[C@H](C)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[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:

CC(=O)OCC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC1OC(OC2C(O)C(CO)OC(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2442981
• CNP0195723

AD11343

Formula: C32H52O5

Smiles:

CC(=O)OCC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.97
AlogP:	5.9	Num_rotatable_bonds:	2
MolWt:	516.76	Num_heavy_atoms:	37
TPSA:	75.99	NumAromaticRings:	0