Glycoside
...
GD022833

Name:
None

Formula:
C50H75O15N7

Smiles:
CN1CCN([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:
CN1CCN([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: 22 RingCount: 8
HBD: 5 FractionCSP3: 0.8
AlogP: 5.78 Num_rotatable_bonds: 13
MolWt: 1014.18 Num_heavy_atoms: 72
TPSA: 295.2 NumAromaticRings: 1

Unique Aglycone
AD15430
Formula: C44H65O10N7

Smiles:
CN1CCN([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: 17 RingCount: 7
HBD: 2 FractionCSP3: 0.77
AlogP: 8.52 Num_rotatable_bonds: 11
MolWt: 852.04 Num_heavy_atoms: 61
TPSA: 216.05 NumAromaticRings: 1

Sugarmoiety
SD00003

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