Glycoside
GD015358
Name:
NoneFormula:
C25H34O8N7PSmiles:
CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1)OCCAglycone:
CCOP(=O)(Cc1ccc(NC(=O)CCCNC=O)cc1)OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 13 |
| MolWt: | 591.56 | Num_heavy_atoms: | 41 |
| 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 |
AD11170
Formula: C16H25O5N2P
Smiles:
CCOP(=O)(Cc1ccc(NC(=O)CCCNC=O)cc1)OCC| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 12 |
| MolWt: | 356.36 | Num_heavy_atoms: | 24 |
| TPSA: | 93.73 | NumAromaticRings: | 1 |
