Glycoside
GD023294
Name:
NoneFormula:
C12H22O20N2P4Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(O)CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(O)CO.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 14 |
| MolWt: | 638.2 | Num_heavy_atoms: | 38 |
| TPSA: | 340.36 | 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 |
AD15685
Formula: C4H14O15P4
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(O)CO| HBA: | 15 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 426.04 | Num_heavy_atoms: | 23 |
| TPSA: | 235.81 | NumAromaticRings: | 0 |
