GD003086

Name:

2-({4-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-3-oloxy}oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C51H82O22

Smiles:

C[C@@H]1CO[C@]2(O[C@@H]3C[C@@H]4[C@@H]5CC=C6C[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](C)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@H]5CC[C@@]4(C)[C@H]3[C@H]2C)[C@H](O)C1

Aglycone:

CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4299542
• CNP0255053

AD02843

Formula: C27H42O4

Smiles:

CC1COC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.68	Num_rotatable_bonds:	0
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0