GD011566

Name:

2-{[4,5-dihydroxy-2-({16-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C44H68O17

Smiles:

C=C(CCC1=C(C)[C@@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@@]5(C)[C@H]4CC[C@]32C)O1)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

C=C(CO)CCC1=C(C)C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)O1

Sugarmoiety:

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL479080
• CNP0331504

AD08828

Formula: C27H40O4

Smiles:

C=C(CO)CCC1=C(C)C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)O1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.78
AlogP:	4.51	Num_rotatable_bonds:	4
MolWt:	428.61	Num_heavy_atoms:	31
TPSA:	69.92	NumAromaticRings:	0