Glycoside
GD033198
Name:
NoneFormula:
C25H32O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCc2c[nH]c3ccccc23)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CN(CCCc1c[nH]c2ccccc12)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 524.58 | Num_heavy_atoms: | 38 |
| TPSA: | 201.66 | 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 |
AD21211
Formula: C16H23O2N3
Smiles:
CN(CCCc1c[nH]c2ccccc12)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 289.38 | Num_heavy_atoms: | 21 |
| TPSA: | 82.35 | NumAromaticRings: | 2 |
