Glycoside
GD038480
Name:
[(2s,3s,4r,5r)-2,5-bis(hydroxymethyl)-2-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoateFormula:
C24H35O19PSmiles:
O=C(O[C@@H]1[C@@H](OP(=O)(O)O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O)[C@@H](CO)O[C@]1(CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1.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: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | -4.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 658.5 | Num_heavy_atoms: | 44 |
| TPSA: | 301.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
