GD137740

Name:

Ammocidin B

Formula:

C60H98O21

Smiles:

COCCCC1OC(O)(C(C)C2CC(C)C(O)C=C(C)C=C(C)C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)C=C(C)C=C(OC)C=C(C)C(=O)O2)C(OC)C(O)C1(C)OC1CC(C)(O)C(OC2CC(C)(O)C(O)C(C)O2)C(C)O1

Aglycone:

CCC1CC(C)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(C)(O)C(OC3CC(C)(O)C(O)C(C)O3)C(C)O2)C(O)OC1(O)O

Other Identifiers

• CNP0207559

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

AD55631

Formula: C29H44O5

Smiles:

CCC1CC(C)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:	5	RingCount:	1
HBD:	2	FractionCSP3:	0.55
AlogP:	5.97	Num_rotatable_bonds:	2
MolWt:	472.67	Num_heavy_atoms:	34
TPSA:	75.99	NumAromaticRings:	0