GD022524

Name:

2-{[2-({21-butoxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-22-oxahexacyclo[18.3.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]pentacos-16-en-10-yl}oxy)-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C51H84O18

Smiles:

CCCCO[C@@H]1OC[C@@]23CC[C@@]1(C)C[C@H]2C1=CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@@]2(C)[C@@]1(C)C[C@H]3O

Aglycone:

CCCCOC1OCC23CCC1(C)CC2C1=CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O

Sugarmoiety:

OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2442991
• CHEMBL2442992
• CNP0079198

AD15254

Formula: C34H56O4

Smiles:

CCCCOC1OCC23CCC1(C)CC2C1=CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3O

HBA:	4	RingCount:	7
HBD:	2	FractionCSP3:	0.94
AlogP:	7.27	Num_rotatable_bonds:	4
MolWt:	528.82	Num_heavy_atoms:	38
TPSA:	58.92	NumAromaticRings:	0