GD011185

Name:

None

Formula:

C64H92O21N2

Smiles:

COC(=O)N[C@@H]1[C@H](C)O[C@H](O[C@@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@H](O[C@@H]5C[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@H](C)O7)[C@H](C)O6)[C@H](OC(C)=O)[C@H](C)O5)[C@H](C)C[C@H](C)[C@H]4[C@@]3(C)C(=O)C3=C(O)[C@@]4(CC(C=CC(C)=O)=C[C@H](O)[C@H]4C=C2C)OC3=O)C[C@]1(C)N

Aglycone:

COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=CC(C)=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N

Sugarmoiety:

CC(=O)OC1C(C)OC(O)CC1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1

Other Identifiers

• CHEMBL4127406

AD06990

Formula: C44H60O11N2

Smiles:

COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=CC(C)=O)=CC(O)C4C=C2C)OC3=O)CC1(C)N

HBA:	13	RingCount:	6
HBD:	6	FractionCSP3:	0.64
AlogP:	4.84	Num_rotatable_bonds:	5
MolWt:	792.97	Num_heavy_atoms:	57
TPSA:	203.94	NumAromaticRings:	0