Glycoside
GD020216
Name:
NoneFormula:
C16H20O11N2P2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)cc1-c1ccccc1Aglycone:
COP(=O)(O)CP(=O)(O)O.O=c1[nH]cc(-c2ccccc2)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.29 | Num_heavy_atoms: | 31 |
| TPSA: | 208.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD02171
Formula: C10H8O2N2
Smiles:
O=c1[nH]cc(-c2ccccc2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.19 | Num_heavy_atoms: | 14 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
