Glycoside
GD018026
Name:
NoneFormula:
C16H22O15N3P3Smiles:
CON=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)Oc3ccccc3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CON=c1cc[nH]c(=O)[nH]1.COP(=O)(O)OP(=O)(O)OP(=O)(O)Oc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 589.28 | Num_heavy_atoms: | 37 |
| TPSA: | 257.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD02305
Formula: C5H7O2N3
Smiles:
CON=c1cc[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 141.13 | Num_heavy_atoms: | 10 |
| TPSA: | 70.24 | NumAromaticRings: | 1 |
AD07310
Formula: C7H11O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)Oc1ccccc1| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 348.08 | Num_heavy_atoms: | 20 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
