Glycoside
GD035680
Name:
NoneFormula:
C29H29O8N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.59 | Num_heavy_atoms: | 44 |
| TPSA: | 224.04 | 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 |
AD22565
Formula: C20H20O5N2
Smiles:
CNC(=O)C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 104.73 | NumAromaticRings: | 2 |
