Glycoside
...
GD001781

Name:
None

Formula:
C51H77O16N7

Smiles:
CN(CCO)[N+]([O-])=NOc1cc(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)[N+]([O-])=NOc1cc(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: 23 RingCount: 8
HBD: 5 FractionCSP3: 0.8
AlogP: 4.78 Num_rotatable_bonds: 14
MolWt: 1044.21 Num_heavy_atoms: 74
TPSA: 306.64 NumAromaticRings: 1

Unique Aglycone
AD01748
Formula: C45H67O11N7

Smiles:
CN(CCO)[N+]([O-])=NOc1cc(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: 18 RingCount: 7
HBD: 2 FractionCSP3: 0.78
AlogP: 7.52 Num_rotatable_bonds: 12
MolWt: 882.07 Num_heavy_atoms: 63
TPSA: 227.49 NumAromaticRings: 1

Sugarmoiety
SD00003

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