Glycoside
GD070918
Name:
NoneFormula:
C13H22O9N3PSmiles:
O=c1ccn([C@@H]2O[C@H](CO[PH](O)(O)N3CCOCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CO[PH](O)(O)N1CCOCC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.31 | Num_heavy_atoms: | 26 |
| TPSA: | 166.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD33531
Formula: C5H14O4NP
Smiles:
CO[PH](O)(O)N1CCOCC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 183.14 | Num_heavy_atoms: | 11 |
| TPSA: | 62.16 | NumAromaticRings: | 0 |
