GD032141

Name:

CYCLACOUMIN

Formula:

C52H84O23

Smiles:

C[C@]1(C=O)CC[C@@]23CO[C@]4(CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@](C)(CO)[C@H]6CC[C@@]5(C)[C@@]4(C)C[C@H]2O)[C@H]3C1

Aglycone:

CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL509721
• CNP0258664

AD20637

Formula: C30H48O5

Smiles:

CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.97
AlogP:	4.5	Num_rotatable_bonds:	2
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	86.99	NumAromaticRings:	0