GD141625

Name:

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

Formula:

C60H98O26

Smiles:

CC1OC(OC2C(OC3C(C)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6CCC7(C)C(CCC8(C)C7CCC79OCC%10(CCC(C)(C)CC%107)C(O)CC89C)C6(C)C)C(O)C5O)C(O)C4O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC1OC(OC2C(OC3C(C)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0098825

AD04545

Formula: C30H50O3

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	6.35	Num_rotatable_bonds:	0
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	49.69	NumAromaticRings:	0