Glycoside
GD020901
Name:
NoneFormula:
C27H45O15Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](CO)OCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)C(O[C@H](CC3CCCCC3)C(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C([O-])C(O)CC1CCCCC1.OCC1OCCC(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 609.64 | Num_heavy_atoms: | 42 |
| TPSA: | 237.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD00488
Formula: C9H15O3
Smiles:
O=C([O-])C(O)CC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 171.22 | Num_heavy_atoms: | 12 |
| TPSA: | 60.36 | NumAromaticRings: | 0 |
AD02704
Formula: C6H12O4
Smiles:
OCC1OCCC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.16 | Num_heavy_atoms: | 10 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
