Glycoside
GD131266
Name:
[(2-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl)oxy][2,3-bis(formyloxy)propoxy]phosphinic acidFormula:
C17H30O17NPSmiles:
NC1C(OC2C(O)C(O)C(O)C(O)C2OP(=O)(O)OCC(COC=O)OC=O)OC(CO)C(O)C1OAglycone:
O=COCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC=OSugarmoiety:
NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.88 |
| AlogP: | -6.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 551.39 | Num_heavy_atoms: | 36 |
| TPSA: | 294.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD53187
Formula: C11H19O13P
Smiles:
O=COCC(COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)OC=O| HBA: | 13 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -3.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 390.23 | Num_heavy_atoms: | 25 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
