Glycoside
GD018319
Name:
NoneFormula:
C16H28O20N3P3Smiles:
CON=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[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)OSugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -4.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 675.32 | Num_heavy_atoms: | 42 |
| TPSA: | 348.04 | NumAromaticRings: | 1 |
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 |
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 |
