Glycoside
GD003779
Name:
NoneFormula:
C12H20O14N2P2Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC(CO)CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OC(CO)CO.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 478.24 | Num_heavy_atoms: | 30 |
| TPSA: | 247.3 | 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 |
AD03387
Formula: C4H12O9P2
Smiles:
COP(=O)(O)OP(=O)(O)OC(CO)CO| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 266.08 | Num_heavy_atoms: | 15 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
