GD040524

Name:

Ammocidin

Formula:

C59H96O22

Smiles:

COCCC[C@H]1O[C@](O)([C@@H](C)[C@H]2C[C@@H](OC)[C@@H](O)C=C(C)C=C(C)C=C(C)[C@@H](O[C@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)[C@H](C)C=C(C)C=C(OC)C=C(C)C(=O)O2)[C@@H](OC)[C@@H](O)[C@]1(C)O[C@@H]1C[C@@H](O)[C@@H](O[C@@H]2C[C@](C)(O)[C@@H](O)[C@@H](C)O2)[C@@H](C)O1

Aglycone:

CCC1CC(OC)C(O)C=C(C)C=C(C)C=C(C)C(O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O1.CCCOC

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.COC1C(O)C(C)(OC2CC(O)C(OC3CC(C)(O)C(O)C(C)O3)C(C)O2)C(O)OC1(O)O

Other Identifiers

• CNP0255172
• ZHD

AD01544

Formula: C4H10O

Smiles:

CCCOC

HBA:	1	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	1.04	Num_rotatable_bonds:	2
MolWt:	74.12	Num_heavy_atoms:	5
TPSA:	9.23	NumAromaticRings:	0

AD24800

Formula: C29H44O6

Smiles:

CCC1CC(OC)C(O)C=C(C)C=C(C)C=C(C)C(O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O1

HBA:	6	RingCount:	1
HBD:	2	FractionCSP3:	0.55
AlogP:	5.35	Num_rotatable_bonds:	3
MolWt:	488.67	Num_heavy_atoms:	35
TPSA:	85.22	NumAromaticRings:	0