GD157718

Name:

Shengjimycin C2

Formula:

C48H80O16N2

Smiles:

CCC(=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(C)=O)C3OC)C(O)C2N(C)C)CC1(C)O

Aglycone:

CCC(=O)O.COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1O

Sugarmoiety:

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

Other Identifiers

• CNP0351601

AD00155

Formula: C3H6O2

Smiles:

CCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	1
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	37.3	NumAromaticRings:	0

AD02611

Formula: C30H49O9N

Smiles:

COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1O

HBA:	10	RingCount:	2
HBD:	1	FractionCSP3:	0.77
AlogP:	3.2	Num_rotatable_bonds:	7
MolWt:	567.72	Num_heavy_atoms:	40
TPSA:	120.83	NumAromaticRings:	0