Glycoside
GD000435
Name:
NoneFormula:
C16H26O5N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC(N)CCCC(O)CO)[C@H](O)[C@H]1OAglycone:
CC(N)CCCC(O)CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 382.42 | Num_heavy_atoms: | 27 |
| TPSA: | 185.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00484
Formula: C7H17O2N
Smiles:
CC(N)CCCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 147.22 | Num_heavy_atoms: | 10 |
| TPSA: | 66.48 | NumAromaticRings: | 0 |
