GD147777

Name:

Shengjimycin D

Formula:

C47H78O16N2

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(C)=O)C(C)O2)C(N(C)C)C1O

Aglycone:

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:

CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)CC1(C)O

Other Identifiers

• CNP0400932

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