Glycoside
GD003457
Name:
NoneFormula:
C19H22O13N4P2Smiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OC(CN3C(=O)c4ccccc4C3=O)P(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OC(CN1C(=O)c2ccccc2C1=O)P(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.35 | Num_heavy_atoms: | 38 |
| TPSA: | 261.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03147
Formula: C11H13O9NP2
Smiles:
COP(=O)(O)OC(CN1C(=O)c2ccccc2C1=O)P(=O)(O)O| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.17 | Num_heavy_atoms: | 23 |
| TPSA: | 150.67 | NumAromaticRings: | 1 |
