Glycoside
GD128827
Name:
Dracunculifoside QFormula:
C25H36O13Smiles:
CCCC(C)OC1OC(COC2OCC(O)(COC(=O)C=Cc3ccc(O)c(O)c3)C2O)C(O)C(O)C1OAglycone:
CCCC(C)O.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 544.55 | Num_heavy_atoms: | 38 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD45357
Formula: C5H12O
Smiles:
CCCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
