Glycoside
GD011198
Name:
NoneFormula:
C11H15O10N2PSmiles:
O=C(CP(=O)(O)O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
COC(=O)CP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.22 | Num_heavy_atoms: | 24 |
| TPSA: | 188.38 | 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 |
AD01714
Formula: C3H7O5P
Smiles:
COC(=O)CP(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.06 | Num_heavy_atoms: | 9 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
