Glycoside
GD071276
Name:
NoneFormula:
C16H24O4N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC2CC[NH2+]CC2)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCC1CC[NH2+]CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.41 | Num_heavy_atoms: | 27 |
| TPSA: | 165.02 | 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 |
AD33563
Formula: C7H15ON2
Smiles:
O=CNCC1CC[NH2+]CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 143.21 | Num_heavy_atoms: | 10 |
| TPSA: | 45.71 | NumAromaticRings: | 0 |
