Glycoside
GD145189
Name:
(2,3-dihydroxypropoxy)[(6-{[6-(2,3-dihydroxypropoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]phosphinic acidFormula:
C18H35O18PSmiles:
O=P(O)(OCC(O)CO)OCC1OC(OCC2OC(OCC(O)CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COP(=O)(O)OCC(O)CO.OCC(O)COSugarmoiety:
OCC(O)COC1OC(CO)C(O)C(O)C1O.OCC(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -6.53 | Num_rotatable_bonds: | 14 |
| MolWt: | 570.43 | Num_heavy_atoms: | 37 |
| TPSA: | 294.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
AD06633
Formula: C4H11O6P
Smiles:
COP(=O)(O)OCC(O)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 186.1 | Num_heavy_atoms: | 11 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
