GD026914

Name:

2-{4-[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]icosa-6,18-dien-6-yl]-2-methylbutoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C62H100O33

Smiles:

CC1=C(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)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:

CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C12

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.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

• CHEMBL503778
• CNP0114836

AD06175

Formula: C27H42O4

Smiles:

CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C12

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.85
AlogP:	4.59	Num_rotatable_bonds:	4
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0