Glycoside
GD033811
Name:
NoneFormula:
C27H33O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCc2ccc3ccccc3c2)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CN(CCCc1ccc2ccccc2c1)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 535.61 | Num_heavy_atoms: | 39 |
| TPSA: | 185.87 | NumAromaticRings: | 4 |
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 |
AD21556
Formula: C18H24O2N2
Smiles:
CN(CCCc1ccc2ccccc2c1)CCC(N)C(=O)O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 300.4 | Num_heavy_atoms: | 22 |
| TPSA: | 66.56 | NumAromaticRings: | 2 |
