GD153618

Name:

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

Formula:

C50H80O20

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OCC(O)(OC7OC(C)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(OC7OC(C)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(OC3(O)COC(O)C(O)C3OC3OC(C)C(O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0102928

AD00005

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.71	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0