Glycoside
...
GD026929

Name:
None

Formula:
C52H77O17N7

Smiles:
CCC(=O)ON1CCN([N+]([O-])=NOc2cc(NCCC(=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)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1

Aglycone:
CCC(=O)ON1CCN([N+]([O-])=NOc2cc(NCCC(=O)OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1

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

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 5 FractionCSP3: 0.79
AlogP: 6.02 Num_rotatable_bonds: 15
MolWt: 1072.22 Num_heavy_atoms: 76
TPSA: 321.5 NumAromaticRings: 1

Unique Aglycone
AD17727
Formula: C46H67O12N7

Smiles:
CCC(=O)ON1CCN([N+]([O-])=NOc2cc(NCCC(=O)OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1
HBA: 19 RingCount: 7
HBD: 2 FractionCSP3: 0.76
AlogP: 8.76 Num_rotatable_bonds: 13
MolWt: 910.08 Num_heavy_atoms: 65
TPSA: 242.35 NumAromaticRings: 1

Sugarmoiety
SD00003

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