GD037437

Name:

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

Formula:

C51H82O23

Smiles:

C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[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](CO)CC8O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12OCC(CO)CC2O

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4783873
• CNP0144373

AD23586

Formula: C27H42O5

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12OCC(CO)CC2O

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	3.66	Num_rotatable_bonds:	1
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0