GD028448

Name:

MADAGASCARENSILIDE A

Formula:

C42H66O16

Smiles:

CO[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]5[C@H]4CC[C@]4(C)[C@H](C6=CC(=O)OC6)CC[C@@]54O)C3)C[C@H]2O)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:

COC1C(O)C(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CHEMBL1644522
• CNP0128822

AD01378

Formula: C23H34O4

Smiles:

CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	3.6	Num_rotatable_bonds:	1
MolWt:	374.52	Num_heavy_atoms:	27
TPSA:	66.76	NumAromaticRings:	0