GD005841

Name:

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

Formula:

C40H56O15

Smiles:

CC(=O)OC[C@@]12C[C@@H]3OC(=O)[C@H](CC(=O)C=C(C)C)[C@H]3[C@@]1(C)[C@H](O)C[C@@H]1C2=CC[C@H]2[C@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(=O)OCC12CC3OC(=O)C(CC(=O)C=C(C)C)C3C1(C)C(O)CC1C2=CCC2C1(C)CCC(OC(C)=O)C2(C)C(=O)O

Sugarmoiety:

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

Other Identifiers

• CHEMBL449122
• CNP0175799

AD04899

Formula: C34H46O10

Smiles:

CC(=O)OCC12CC3OC(=O)C(CC(=O)C=C(C)C)C3C1(C)C(O)CC1C2=CCC2C1(C)CCC(OC(C)=O)C2(C)C(=O)O

HBA:	10	RingCount:	5
HBD:	2	FractionCSP3:	0.74
AlogP:	4.18	Num_rotatable_bonds:	7
MolWt:	614.73	Num_heavy_atoms:	44
TPSA:	153.5	NumAromaticRings:	0