Glycoside
GD141005
Name:
[2,3-bis(acetyloxy)propoxy][(2-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl)oxy]phosphinic acidFormula:
C21H36O18NPSmiles:
CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1N=C(C)O)OC(C)=OAglycone:
CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(C)=OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -4.39 | Num_rotatable_bonds: | 12 |
| MolWt: | 621.48 | Num_heavy_atoms: | 41 |
| TPSA: | 301.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD56837
Formula: C13H23O13P
Smiles:
CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC(C)=O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 418.29 | Num_heavy_atoms: | 27 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
