Glycoside
GD031847
Name:
NoneFormula:
C18H28O5N7ISmiles:
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CN(CCI)CCCC(N)C(=O)O.CNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 549.37 | Num_heavy_atoms: | 31 |
| TPSA: | 171.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD10069
Formula: C8H17O2N2I
Smiles:
CN(CCI)CCCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 300.14 | Num_heavy_atoms: | 13 |
| TPSA: | 66.56 | NumAromaticRings: | 0 |
