GD031589

Name:

None

Formula:

C61H90O21N2

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](OC)[C@H](C)O7)[C@H](C)O6)[C@H](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(C[C@H](C)C(CO)=C[C@H]4C=C2C)OC3=O)C[C@]1(C)[N+](=O)[O-]

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)C(CO)=CC4C=C2C)OC3=O)CC1(C)[N+](=O)[O-]

Sugarmoiety:

COC1C(O)CC(OC2C(O)CC(OC3CC(O)OC(C)C3O)OC2C)OC1C

Other Identifiers

• CHEMBL3622473

AD01839

Formula: C42H58O12N2

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)C(CO)=CC4C=C2C)OC3=O)CC1(C)[N+](=O)[O-]

HBA:	14	RingCount:	6
HBD:	4	FractionCSP3:	0.69
AlogP:	5.28	Num_rotatable_bonds:	5
MolWt:	782.93	Num_heavy_atoms:	56
TPSA:	203.99	NumAromaticRings:	0