Glycoside
GD099079
Name:
NoneFormula:
C15H22O10N5PSmiles:
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@@H]1O[C@H](C[N+](=O)[O-])C1CC1Aglycone:
CO[PH](O)(O)O.O=[N+]([O-])CC(O)C1CC1.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 463.34 | Num_heavy_atoms: | 31 |
| TPSA: | 215.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD42176
Formula: C5H9O3N
Smiles:
O=[N+]([O-])CC(O)C1CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.13 | Num_heavy_atoms: | 9 |
| TPSA: | 63.37 | NumAromaticRings: | 0 |
