GD016191

Name:

None

Formula:

C51H78O17

Smiles:

CC[C@H](C)[C@@H]1O[C@@]2(CC[C@H]1C)C[C@@H]1C[C@H](CC=C(C)[C@H](OC(=O)OCCO[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[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:

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

Sugarmoiety:

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL216098
• CHEMBL428450

AD11692

Formula: C37H54O11

Smiles:

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

HBA:	11	RingCount:	5
HBD:	3	FractionCSP3:	0.73
AlogP:	4.68	Num_rotatable_bonds:	5
MolWt:	674.83	Num_heavy_atoms:	48
TPSA:	150.21	NumAromaticRings:	0