Glycoside
...
GD037045

Name:
None

Formula:
C53H87O35N7

Smiles:
CC(=O)N[C@H]1[C@@H](OCCCCCCN=[N+]=[N-])O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@@H](CO)O[C@@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@@H](CO)O[C@]5(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)O4)O3)[C@@H]2O)[C@@H]1O

Aglycone:
CC(=O)NC1C(O)CC(OC(CO)C(O)C2OC(OC(CO)C(O)C3OC(O)(C(=O)O)CC(O)C3NC(C)=O)(C(=O)O)CC(O)C2NC(C)=O)(C(=O)O)OC1C(O)C(O)CO.[N-]=[N+]=NCCCCCCO

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 5
HBD: 22 FractionCSP3: 0.87
AlogP: -10.84 Num_rotatable_bonds: 34
MolWt: 1382.29 Num_heavy_atoms: 95
TPSA: 672.81 NumAromaticRings: 0

Unique Aglycone
AD05617
Formula: C6H13ON3

Smiles:
[N-]=[N+]=NCCCCCCO
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 1.85 Num_rotatable_bonds: 6
MolWt: 143.19 Num_heavy_atoms: 10
TPSA: 68.99 NumAromaticRings: 0
AD14049
Formula: C33H53O25N3

Smiles:
CC(=O)NC1C(O)CC(OC(CO)C(O)C2OC(OC(CO)C(O)C3OC(O)(C(=O)O)CC(O)C3NC(C)=O)(C(=O)O)CC(O)C2NC(C)=O)(C(=O)O)OC1C(O)C(O)CO
HBA: 28 RingCount: 3
HBD: 17 FractionCSP3: 0.82
AlogP: -9.52 Num_rotatable_bonds: 19
MolWt: 891.78 Num_heavy_atoms: 61
TPSA: 467.88 NumAromaticRings: 0

Sugarmoiety
SD00707

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O