GD117410

Name:

Stremycin B

Formula:

C48H65O22N

Smiles:

COC1CC(OC2C=C(C)C(O)C3(O)C(OC(C)=O)C(O)C4=C(C(=O)c5ccc(C6CC(OC7CC(C)(O)C(OC8CCC(OC(=N)O)C(C)O8)C(C)O7)C(O)C(C)O6)c(O)c5C4=O)C23O)OC(C)C1O

Aglycone:

CC(=O)OC1C(O)C2=C(C(=O)c3ccc(C4CC(O)C(O)C(C)O4)c(O)c3C2=O)C2(O)C(O)C=C(C)C(O)C12O.CC1OC(O)CCC1OC(=N)O

Sugarmoiety:

CC1OC(O)CC(C)(O)C1O.COC1CC(O)OC(C)C1O

Other Identifiers

• CNP0128329

AD46805

Formula: C27H30O13

Smiles:

CC(=O)OC1C(O)C2=C(C(=O)c3ccc(C4CC(O)C(O)C(C)O4)c(O)c3C2=O)C2(O)C(O)C=C(C)C(O)C12O

HBA:	13	RingCount:	5
HBD:	8	FractionCSP3:	0.52
AlogP:	-1.91	Num_rotatable_bonds:	2
MolWt:	562.52	Num_heavy_atoms:	40
TPSA:	231.51	NumAromaticRings:	1

AD46806

Formula: C7H13O4N

Smiles:

CC1OC(O)CCC1OC(=N)O

HBA:	5	RingCount:	1
HBD:	3	FractionCSP3:	0.86
AlogP:	0.38	Num_rotatable_bonds:	1
MolWt:	175.18	Num_heavy_atoms:	12
TPSA:	82.77	NumAromaticRings:	0