GD007820

Name:

2-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-17'-en-8'-oloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C45H72O17

Smiles:

C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CCC5=C[C@@H](O[C@@H]6O[C@@H](CO)[C@H](O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@]1(O)[C@H]2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5=CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

Sugarmoiety:

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

Other Identifiers

• CHEMBL1076251
• CNP0292593

AD06329

Formula: C27H42O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5=CC(O)CCC5(C)C4CCC3(C)C1(O)C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.83	Num_rotatable_bonds:	0
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0