GD035624

Name:

{14'-[(3-{[5-(acetyloxy)-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-3,4,16'-trihydroxy-9',13'-dimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-7'-yl}methyl acetate

Formula:

C52H78O25

Smiles:

C=C1CO[C@]2(O[C@@H]3C[C@@H]4[C@@H]5CC=C6C[C@H](O)C[C@H](O[C@@H]7OC[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](C)[C@H](OC(C)=O)[C@H](O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]7O)[C@@]6(C)[C@H]5CC[C@@]4(C)[C@H]3[C@H]2COC(C)=O)[C@H](O)[C@H]1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2COC(C)=O)C(O)C1O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)(CO)C1O

Other Identifiers

• CHEMBL525058
• CNP0129155

AD08857

Formula: C29H42O8

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2COC(C)=O)C(O)C1O

HBA:	8	RingCount:	6
HBD:	4	FractionCSP3:	0.83
AlogP:	2.09	Num_rotatable_bonds:	2
MolWt:	518.65	Num_heavy_atoms:	37
TPSA:	125.68	NumAromaticRings:	0