GD017707

Name:

6-Dehydrochamaeliroside A

Formula:

C39H66O15

Smiles:

CC(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC(=O)[C@@H]4C[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C

Aglycone:

CC(C)C(O)C(O)CC(C)C1C(O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2088133
• CNP0168712

AD06412

Formula: C27H46O5

Smiles:

CC(C)C(O)C(O)CC(C)C1C(O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C

HBA:	5	RingCount:	4
HBD:	4	FractionCSP3:	0.96
AlogP:	3.56	Num_rotatable_bonds:	5
MolWt:	450.66	Num_heavy_atoms:	32
TPSA:	97.99	NumAromaticRings:	0