GD156923

Name:

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

Formula:

C59H94O27

Smiles:

CC=C(C)C(=O)OC1C(O)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(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)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

Aglycone:

CC=C(C)C(=O)OC1C(O)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)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

• CNP0140191

AD54271

Formula: C35H56O7

Smiles:

CC=C(C)C(=O)OC1C(O)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2O)C3CC1(C)C

HBA:	7	RingCount:	6
HBD:	4	FractionCSP3:	0.91
AlogP:	5.13	Num_rotatable_bonds:	2
MolWt:	588.83	Num_heavy_atoms:	42
TPSA:	116.45	NumAromaticRings:	0