Glycoside
GD033371
Name:
NoneFormula:
C20H26O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)Cc2ccccn2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)Cc1ccccn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.48 | Num_heavy_atoms: | 33 |
| TPSA: | 198.76 | 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 |
AD21301
Formula: C11H17O2N3
Smiles:
CN(CCC(N)C(=O)O)Cc1ccccn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 223.28 | Num_heavy_atoms: | 16 |
| TPSA: | 79.45 | NumAromaticRings: | 1 |
