Glycoside
GD038474
Name:
agmatidineFormula:
C14H30O7N7PSmiles:
NC1C=CN([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)C(NCCCCNC(N)N)=N1Aglycone:
COP(=O)(O)O.NC1C=CNC(NCCCCNC(N)N)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.79 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 10 |
| MolWt: | 439.41 | Num_heavy_atoms: | 29 |
| TPSA: | 234.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24028
Formula: C9H21N7
Smiles:
NC1C=CNC(NCCCCNC(N)N)=N1| HBA: | 7 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 227.32 | Num_heavy_atoms: | 16 |
| TPSA: | 126.51 | NumAromaticRings: | 0 |
