GD019303

Name:

6-({6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-9-yl}oxy)-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid

Formula:

C48H74O20

Smiles:

CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@H]3C1)[C@@H]1O[C@H]1[C@@H]1[C@]2(C)CC[C@H](O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]2CC[C@]14C

Aglycone:

CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL526542
• CNP0239425

AD05043

Formula: C30H46O4

Smiles:

CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1

HBA:	4	RingCount:	7
HBD:	1	FractionCSP3:	0.97
AlogP:	5.9	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	59.06	NumAromaticRings:	0