GD029334

Name:

None

Formula:

C51H70O12Cl2

Smiles:

CCC(C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](OC(=O)C4C(C=C(Cl)Cl)C4(C)C)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2

Aglycone:

CC1(C)C(C=C(Cl)Cl)C1C(=O)O.CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2

Sugarmoiety:

COC1CC(O)OC(C)C1O

Other Identifiers

• CHEMBL2228112

AD02409

Formula: C34H50O8

Smiles:

CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.74
AlogP:	4.53	Num_rotatable_bonds:	2
MolWt:	586.77	Num_heavy_atoms:	42
TPSA:	114.68	NumAromaticRings:	0

AD19088

Formula: C10H10O2Cl2

Smiles:

CC1(C)C(C=C(Cl)Cl)C1C(=O)O

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.62
AlogP:	2.66	Num_rotatable_bonds:	2
MolWt:	209.07	Num_heavy_atoms:	12
TPSA:	37.3	NumAromaticRings:	0