GD123495

Name:

4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-({2-[7'-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-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'-ene-3,16'-dioloxy]-5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-5-hydroxy-2-methyloxan-3-yl acetate

Formula:

C68H106O38

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(OC(C)=O)C(OC8OCC(O)(CO)C8O)C7O)C6(C)C5CCC4(C)C3C2COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2CO)C(O)C1O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)(CO)C1O.CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0112169

AD20183

Formula: C27H40O7

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2CO)C(O)C1O

HBA:	7	RingCount:	6
HBD:	5	FractionCSP3:	0.85
AlogP:	1.52	Num_rotatable_bonds:	1
MolWt:	476.61	Num_heavy_atoms:	34
TPSA:	119.61	NumAromaticRings:	0