Glycoside
GD013244
Name:
PHYSORDINOSE DFormula:
C28H52O12Smiles:
CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1OCC(C)CAglycone:
CC(C)CO.CCCCCCCCCCCC(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 19 |
| MolWt: | 580.71 | Num_heavy_atoms: | 40 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00188
Formula: C12H24O2
Smiles:
CCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 200.32 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD06374
Formula: C4H10O
Smiles:
CC(C)CO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
