GD021110

Name:

2-{[5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-15'-oloxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C44H72O18

Smiles:

CC1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@H]2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL446926
• CNP0299595

AD04277

Formula: C27H44O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	4.76	Num_rotatable_bonds:	0
MolWt:	432.65	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0