GD130121

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]-16'-yl}-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C51H84O23

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(C6(OC7OC(CO)C(O)C(O)C7O)OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CCCCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(O)C(CO)OC(O)(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0142402

AD49933

Formula: C27H44O2

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CCCCC5(C)C4CCC3(C)C1C2C

HBA:	2	RingCount:	6
HBD:	0	FractionCSP3:	1.0
AlogP:	6.82	Num_rotatable_bonds:	0
MolWt:	400.65	Num_heavy_atoms:	29
TPSA:	18.46	NumAromaticRings:	0