GD145144

Name:

Shengjimycin A2Α

Formula:

C50H84O16N2

Smiles:

CCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(OC4CCC(N(C)C)C(C)O4)C=CC=CCC(C)OC(=O)CC(OC(=O)CC)C3OC)C(O)C2N(C)C)CC1(C)O

Aglycone:

CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)C1OC.CCCC(=O)O

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CNP0073810

AD00922

Formula: C4H8O2

Smiles:

CCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.87	Num_rotatable_bonds:	2
MolWt:	88.11	Num_heavy_atoms:	6
TPSA:	37.3	NumAromaticRings:	0

AD49952

Formula: C31H51O9N

Smiles:

CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(O)C1OC

HBA:	10	RingCount:	2
HBD:	1	FractionCSP3:	0.77
AlogP:	3.59	Num_rotatable_bonds:	8
MolWt:	581.75	Num_heavy_atoms:	41
TPSA:	120.83	NumAromaticRings:	0