GD116596

Name:

Sulfurmycin A

Formula:

C43H53O16N

Smiles:

COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(OC4CC(O)C(OC5CCC(=O)C(C)O5)C(C)O4)C(C)O2)CC1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O

Aglycone:

CC1OC(O)CCC1=O.COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O

Sugarmoiety:

CC1OC(O)CC(O)C1O

Other Identifiers

• CNP0251748

AD00014

Formula: C6H10O3

Smiles:

CC1OC(O)CCC1=O

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.83
AlogP:	0.07	Num_rotatable_bonds:	0
MolWt:	130.14	Num_heavy_atoms:	9
TPSA:	46.53	NumAromaticRings:	0

AD46334

Formula: C31H35O11N

Smiles:

COC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(O)C(C)O2)CC1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O

HBA:	12	RingCount:	5
HBD:	4	FractionCSP3:	0.48
AlogP:	1.73	Num_rotatable_bonds:	6
MolWt:	597.62	Num_heavy_atoms:	43
TPSA:	180.13	NumAromaticRings:	2