GD005528

Name:

None

Formula:

C92H161O32N3

Smiles:

CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)[C@H](CCNCC[C@@H]2C[C@H](C)[C@H](O)C=CC(C)=CC(COC3OC(C)C(O)C(OC)C3OC)[C@H](CC)OC(=O)C[C@H](O)[C@H](C)[C@@H]2OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C[C@H](C)[C@H](O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC

Aglycone:

CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCC2CC(C)C(O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C2O)CC(C)C(O)C=CC(C)=CC1CO

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OC.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

• CHEMBL414919

AD04688

Formula: C46H79O12N

Smiles:

CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCC2CC(C)C(O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C2O)CC(C)C(O)C=CC(C)=CC1CO

HBA:	13	RingCount:	2
HBD:	9	FractionCSP3:	0.78
AlogP:	3.75	Num_rotatable_bonds:	10
MolWt:	838.13	Num_heavy_atoms:	59
TPSA:	226.47	NumAromaticRings:	0