Glycoside
GD035402
Name:
NoneFormula:
C39H70O15Smiles:
CCCCCCCCC(=O)O[C@H]1[C@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)O[C@@H](COC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCCAglycone:
CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)OC.CCCCCCCCC(=O)OSugarmoiety:
OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)OC1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 31 |
| MolWt: | 778.97 | Num_heavy_atoms: | 54 |
| TPSA: | 224.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00130
Formula: C6H12O2
Smiles:
CCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02869
Formula: C7H14O2
Smiles:
CCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD04031
Formula: C9H18O2
Smiles:
CCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 7 |
| MolWt: | 158.24 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
