GD002372

Name:

AESCULIOSIDE IIIE

Formula:

C57H88O24

Smiles:

CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)C(C)(C)C[C@@H]2C3=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@@]4(C)[C@@]3(C)[C@H](O)[C@H](O)[C@@]12CO

Aglycone:

CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)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

• CHEMBL1095027
• CNP0218352

AD02268

Formula: C40H62O9

Smiles:

CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)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:	0.8
AlogP:	5.03	Num_rotatable_bonds:	6
MolWt:	686.93	Num_heavy_atoms:	49
TPSA:	153.75	NumAromaticRings:	0