GD006011

Name:

None

Formula:

C41H61O13N5S

Smiles:

C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C=NNC(=O)CNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@@H]4C[C@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=NNC(=O)CNC(=O)CCCCC3SCC4NC(=O)NC43)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4460548
• CHEMBL4475114

AD05012

Formula: C35H51O9N5S

Smiles:

CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=NNC(=O)CNC(=O)CCCCC3SCC4NC(=O)NC43)C1(O)CCC2C1=CC(=O)OC1

HBA:	14	RingCount:	7
HBD:	8	FractionCSP3:	0.8
AlogP:	0.61	Num_rotatable_bonds:	10
MolWt:	717.89	Num_heavy_atoms:	50
TPSA:	218.91	NumAromaticRings:	0