Glycoside
GD032867
Name:
NoneFormula:
C24H32O8N7PSmiles:
CCOP(=O)(Cc1ccc(NC(=O)CCNC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1)OCCAglycone:
CCOP(=O)(Cc1ccc(NC(=O)CCNC=O)cc1)OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 12 |
| MolWt: | 577.54 | Num_heavy_atoms: | 40 |
| TPSA: | 213.04 | 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 |
AD05773
Formula: C15H23O5N2P
Smiles:
CCOP(=O)(Cc1ccc(NC(=O)CCNC=O)cc1)OCC| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 11 |
| MolWt: | 342.33 | Num_heavy_atoms: | 23 |
| TPSA: | 93.73 | NumAromaticRings: | 1 |
