GD156022

Name:

(3,16'-dihydroxy-14'-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-9',13'-dimethyl-5-methylidene-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-7'-yl)methyl acetate

Formula:

C52H80O25

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2COC(C)=O)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2COC(C)=O)C(O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0309123

AD08857

Formula: C29H42O8

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2COC(C)=O)C(O)C1O

HBA:	8	RingCount:	6
HBD:	4	FractionCSP3:	0.83
AlogP:	2.09	Num_rotatable_bonds:	2
MolWt:	518.65	Num_heavy_atoms:	37
TPSA:	125.68	NumAromaticRings:	0