GD141240

Name:

2-[(4-hydroxy-2-{1',5,7',9',13'-pentamethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C50H82O21

Smiles:

CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CC5CCC43C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(O)CC5CCC43C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0106076

AD55463

Formula: C28H46O3

Smiles:

CC1CCC2(OC1)OC1CC3C(C)(CCC4C5(C)CCC(O)CC5CCC43C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	1.0
AlogP:	6.18	Num_rotatable_bonds:	0
MolWt:	430.67	Num_heavy_atoms:	31
TPSA:	38.69	NumAromaticRings:	0