GD030212

Name:

ACULEOSIDE A

Formula:

C50H72O21

Smiles:

C=C1CO[C@]2(O[C@@H]3C[C@@H]4[C@@H]5CC=C6C[C@H](O)C[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)[C@@]6(C)[C@H]5CC[C@@]4(C)[C@H]3[C@H]2C)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)C(=O)[C@H](O)[C@H]1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(C)C(=O)C(O)C1O

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(O)OCC(O)C2O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL447264
• CNP0276587

AD19562

Formula: C33H48O10

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(C)C(=O)C(O)C1O

HBA:	10	RingCount:	7
HBD:	5	FractionCSP3:	0.85
AlogP:	1.61	Num_rotatable_bonds:	2
MolWt:	604.74	Num_heavy_atoms:	43
TPSA:	155.14	NumAromaticRings:	0