GD012223

Name:

ASKENDOSIDE D

Formula:

C45H74O17

Smiles:

CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@H](O)C[C@]3(C)[C@@H]4C[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]56C[C@@]46CC[C@]23C)O1

Aglycone:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

Sugarmoiety:

OC1COC(O)C(O)C1O.OC1COC(OC2C(O)OCC(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL3391794
• CHEMBL371147
• CNP0290973

AD04921

Formula: C30H50O5

Smiles:

CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	4.44	Num_rotatable_bonds:	2
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0