GD131792

Name:

Shengjimycin B2Î’

Formula:

C49H82O16N2

Smiles:

COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)C(C)C)C(C)O2)C(N(C)C)C1O

Aglycone:

CC(C)C(=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

• CNP0351068

AD00350

Formula: C4H8O2

Smiles:

CC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.75
AlogP:	0.73	Num_rotatable_bonds:	1
MolWt:	88.11	Num_heavy_atoms:	6
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