GD035661

Name:

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

Formula:

C39H64O14

Smiles:

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

Aglycone:

CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4299568
• CNP0272985

AD10216

Formula: C27H44O4

Smiles:

CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

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