Glycoside
GD012295
Name:
NoneFormula:
C25H29O15N4P3Smiles:
N#CC(CCON=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1)(c1ccccc1)c1ccccc1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.N#CC(CCON=c1cc[nH]c(=O)[nH]1)(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 14 |
| MolWt: | 718.44 | Num_heavy_atoms: | 47 |
| TPSA: | 292.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD09290
Formula: C20H18O2N4
Smiles:
N#CC(CCON=c1cc[nH]c(=O)[nH]1)(c1ccccc1)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.39 | Num_heavy_atoms: | 26 |
| TPSA: | 94.03 | NumAromaticRings: | 3 |
