Glycoside
GD014310
Name:
NoneFormula:
C8H19O15P3Smiles:
O=P(O)(O)OCC[C@@H]1O[C@H](CO)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OAglycone:
CCOP(=O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 448.15 | Num_heavy_atoms: | 26 |
| TPSA: | 249.97 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD02591
Formula: C2H7O4P
Smiles:
CCOP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
