Glycoside
GD031305
Name:
NoneFormula:
C25H30O7N8Smiles:
COc1ccc(C(N)=O)cc1C#CCN(CC[C@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COc1ccc(C(N)=O)cc1C#CCN(C)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 554.56 | Num_heavy_atoms: | 40 |
| TPSA: | 238.19 | NumAromaticRings: | 3 |
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 |
AD20182
Formula: C16H21O4N3
Smiles:
COc1ccc(C(N)=O)cc1C#CCN(C)CCC(N)C(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 319.36 | Num_heavy_atoms: | 23 |
| TPSA: | 118.88 | NumAromaticRings: | 1 |
