Glycoside
GD107021
Name:
NoneFormula:
C15H28O18N2P4Smiles:
O=c1ccn([C@H]2O[C@@H](CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)Oc3ccccc3)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)Oc1ccccc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.33 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 648.28 | Num_heavy_atoms: | 39 |
| TPSA: | 312.54 | NumAromaticRings: | 2 |
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 |
AD44261
Formula: C7H20O13P4
Smiles:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O[PH](O)(O)Oc1ccccc1| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.14 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 436.12 | Num_heavy_atoms: | 24 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
