Glycoside
GD147120
Name:
NoneFormula:
C28H46O15Smiles:
CCCCC(=O)OC1C(CO)OC(OC2(CO)OC(CO)C(OC(C)=O)C2O)C(OC(=O)CCC)C1OC(=O)CCCCAglycone:
CCCC(=O)O.CCCCC(=O)O.CCCCC(=O)OSugarmoiety:
CC(=O)OC1C(CO)OC(CO)(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 17 |
| MolWt: | 622.66 | Num_heavy_atoms: | 43 |
| TPSA: | 213.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01564
Formula: C5H10O2
Smiles:
CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
