Glycoside
GD032222
Name:
NoneFormula:
C27H34O6N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)CC2CN(Cc3coc4ccccc34)C2)[C@H](O)[C@H]1OAglycone:
CN(CCC(N)C(=O)O)CC1CN(Cc2coc3ccccc23)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 566.62 | Num_heavy_atoms: | 41 |
| TPSA: | 202.25 | 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 |
AD20689
Formula: C18H25O3N3
Smiles:
CN(CCC(N)C(=O)O)CC1CN(Cc2coc3ccccc23)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 331.42 | Num_heavy_atoms: | 24 |
| TPSA: | 82.94 | NumAromaticRings: | 2 |
