GD130101

Name:

16'-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-11',20'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-10'-one

Formula:

C51H80O23

Smiles:

CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4C(O)C(=O)C3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CCC5(C)C4C(O)C(=O)C3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(C)OC(OC3C(CO)OC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0116913

AD52711

Formula: C27H40O6

Smiles:

CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(O)CCC5(C)C4C(O)C(=O)C3(C)C1C2C

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.89
AlogP:	2.83	Num_rotatable_bonds:	0
MolWt:	460.61	Num_heavy_atoms:	33
TPSA:	96.22	NumAromaticRings:	0