GD002234

Name:

AESCULIOSIDE IIIB

Formula:

C56H88O24

Smiles:

CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)C)[C@@]2(CO)[C@H](O)[C@@H](O)[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[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)(CO)[C@H]5CC[C@]43C)[C@H]2CC1(C)C

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)C(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1094683
• CNP0140874

AD02152

Formula: C39H62O9

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)C(O)C2O

HBA:	9	RingCount:	5
HBD:	5	FractionCSP3:	0.85
AlogP:	4.72	Num_rotatable_bonds:	6
MolWt:	674.92	Num_heavy_atoms:	48
TPSA:	153.75	NumAromaticRings:	0