GD125209

Name:

6-{[2-(acetyloxy)-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-21-[(2-methylbut-2-enoyl)oxy]-22-(propanoyloxy)-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:

C64H100O29

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)CC)C23C(O)OC4(CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)CC)C23C(O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0265328

AD50631

Formula: C40H62O9

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)CC)C23C(O)OC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2OC(C)=O)C3CC1(C)C

HBA:	9	RingCount:	6
HBD:	2	FractionCSP3:	0.88
AlogP:	6.66	Num_rotatable_bonds:	5
MolWt:	686.93	Num_heavy_atoms:	49
TPSA:	128.59	NumAromaticRings:	0