GD001001

Name:

None

Formula:

C53H70O19N2

Smiles:

COC(=O)NC1[C@H](C)O[C@H](O[C@@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@H](O[C@@H]5CC(OC(C)=O)C(OC(C)=O)[C@H](C)O5)[C@H](C)C[C@H](C)[C@H]4[C@@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)CC1(C)[N+](=O)[O-]

Aglycone:

COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(OC(C)=O)C4C=C2C)C3=O)CC1(C)[N+](=O)[O-]

Sugarmoiety:

CC(=O)OC1CC(O)OC(C)C1OC(C)=O

Other Identifiers

• CHEMBL414941

AD01042

Formula: C43H56O14N2

Smiles:

COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(OC(C)=O)C4C=C2C)C3=O)CC1(C)[N+](=O)[O-]

HBA:	16	RingCount:	6
HBD:	3	FractionCSP3:	0.65
AlogP:	4.78	Num_rotatable_bonds:	6
MolWt:	824.92	Num_heavy_atoms:	59
TPSA:	227.13	NumAromaticRings:	0