GD031492

Name:

None

Formula:

C78H133O26N3

Smiles:

CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@H](CCNCC[C@@H]2C[C@H](C)C(=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(O)C(N(C)C)C2O)C[C@H](C)C(=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)C1O.CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OC.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

• CHEMBL412205

AD20282

Formula: C46H75O12N

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:	7	FractionCSP3:	0.74
AlogP:	4.17	Num_rotatable_bonds:	10
MolWt:	834.1	Num_heavy_atoms:	59
TPSA:	220.15	NumAromaticRings:	0