Glycoside
...
GD021691

Name:
None

Formula:
C51H77O14N5

Smiles:
CN(CCO)c1cc(N2CCN(CC(=O)O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)C3(C)C)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]

Aglycone:
CN(CCO)c1cc(N2CCN(CC(=O)OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 5 FractionCSP3: 0.8
AlogP: 5.11 Num_rotatable_bonds: 12
MolWt: 984.2 Num_heavy_atoms: 70
TPSA: 258.98 NumAromaticRings: 1

Unique Aglycone
AD14782
Formula: C45H67O9N5

Smiles:
CN(CCO)c1cc(N2CCN(CC(=O)OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]
HBA: 14 RingCount: 7
HBD: 2 FractionCSP3: 0.78
AlogP: 7.85 Num_rotatable_bonds: 10
MolWt: 822.06 Num_heavy_atoms: 59
TPSA: 179.83 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O