GD125044

Name:

[14'-({4-[(3-{[5-(acetyloxy)-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxyoxan-2-yl}oxy)-3,16'-dihydroxy-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:

C58H88O29

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8OC8OC(C)C(OC(C)=O)C(OC9OCC(O)(CO)C9O)C8O)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:

CC(=O)OC1C(C)OC(OC2C(OC3C(O)COC(O)C3O)OCC(O)C2O)C(O)C1OC1OCC(O)(CO)C1O.CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0187373

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