GD029872

Name:

16-({5-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-15-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-one

Formula:

C51H80O28

Smiles:

C[C@@H]1C(=O)O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]12

Aglycone:

CC1C(=O)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C21

Sugarmoiety:

OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL500203
• CNP0229656

AD19377

Formula: C22H32O4

Smiles:

CC1C(=O)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C21

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.86
AlogP:	3.07	Num_rotatable_bonds:	0
MolWt:	360.49	Num_heavy_atoms:	26
TPSA:	66.76	NumAromaticRings:	0