Glycoside
GD009564
Name:
PHOSPHONOXINFormula:
C15H24O10N3PSmiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)CCN3C[C@H](O)[C@H](O)C3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)CCN1CC(O)C(O)C1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -3.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.34 | Num_heavy_atoms: | 29 |
| TPSA: | 194.78 | 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 |
AD07487
Formula: C7H16O5NP
Smiles:
COP(=O)(O)CCN1CC(O)C(O)C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 225.18 | Num_heavy_atoms: | 14 |
| TPSA: | 90.23 | NumAromaticRings: | 0 |
