Glycoside
GD038478
Name:
{[4-hydroxy-2,5-bis(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxy}[(2,4,5-trihydroxyoxan-3-yl)oxy]phosphinic acidFormula:
C17H31O18PSmiles:
O=P(O)(O[C@H]1[C@H](O)[C@@](CO)(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)O[C@@H]1CO)O[C@H]1[C@@H](O)OC[C@@H](O)[C@H]1OAglycone:
O=P(O)(O)OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -6.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 554.39 | Num_heavy_atoms: | 36 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
