Glycoside
GD037514
Name:
NoneFormula:
C28H40O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)C2CC(CNCCCc3ccccc3)C2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)C1CC(CNCCCc2ccccc2)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 14 |
| MolWt: | 568.68 | Num_heavy_atoms: | 41 |
| TPSA: | 197.9 | 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 |
AD23624
Formula: C19H31O2N3
Smiles:
CN(CCC(N)C(=O)O)C1CC(CNCCCc2ccccc2)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 333.48 | Num_heavy_atoms: | 24 |
| TPSA: | 78.59 | NumAromaticRings: | 1 |
