Glycoside
...
GD026527

Name:
None

Formula:
C48H72O16N6

Smiles:
C[C@H](Nc1cc(ON=[N+]([O-])N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(C(=O)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]23C)C1(C)C

Aglycone:
CC(Nc1cc(ON=[N+]([O-])N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C

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

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 6 FractionCSP3: 0.79
AlogP: 5.46 Num_rotatable_bonds: 14
MolWt: 989.13 Num_heavy_atoms: 70
TPSA: 312.19 NumAromaticRings: 1

Unique Aglycone
AD17478
Formula: C42H62O11N6

Smiles:
CC(Nc1cc(ON=[N+]([O-])N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C1(C)C
HBA: 17 RingCount: 6
HBD: 3 FractionCSP3: 0.76
AlogP: 8.2 Num_rotatable_bonds: 12
MolWt: 826.99 Num_heavy_atoms: 59
TPSA: 233.04 NumAromaticRings: 1

Sugarmoiety
SD00003

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