GD035178

Name:

PACHANOSIDE D1

Formula:

C53H80O25

Smiles:

C[C@@H]1C[C@]23C(=O)O[C@]14C(=CC[C@@H]1[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]14C)[C@H]2CC(C)(C)C[C@H]3O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1CC23C(=O)OC14C(=CCC1C5(C)CCC(O)C(C)(C)C5CCC14C)C2CC(C)(C)CC3O

Sugarmoiety:

O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL2047208
• CNP0079441

AD22275

Formula: C30H46O4

Smiles:

CC1CC23C(=O)OC14C(=CCC1C5(C)CCC(O)C(C)(C)C5CCC14C)C2CC(C)(C)CC3O

HBA:	4	RingCount:	7
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0