Glycoside
GD151517
Name:
({6-[2,3-bis(acetyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)(2,3-dihydroxypropoxy)phosphinic acidFormula:
C16H29O15PSmiles:
CC(=O)OCC(COC1OC(COP(=O)(O)OCC(O)CO)C(O)C(O)C1O)OC(C)=OAglycone:
CC(=O)OCC(CO)OC(C)=O.COP(=O)(O)OCC(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -3.21 | Num_rotatable_bonds: | 13 |
| MolWt: | 492.37 | Num_heavy_atoms: | 32 |
| TPSA: | 227.97 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD15243
Formula: C7H12O5
Smiles:
CC(=O)OCC(CO)OC(C)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
