Glycoside
GD079258
Name:
NoneFormula:
C17H23O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCN2CCCC2=O)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNCCCN1CCCC1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.42 | Num_heavy_atoms: | 29 |
| TPSA: | 168.72 | 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 |
AD15616
Formula: C8H14O2N2
Smiles:
O=CNCCCN1CCCC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.21 | Num_heavy_atoms: | 12 |
| TPSA: | 49.41 | NumAromaticRings: | 0 |
