Glycoside
GD123316
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(oct-1-en-3-yloxy)oxan-3-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C25H44O15Smiles:
C=CC(CCCCC)OC1OC(CO)C(O)C(O)C1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
C=CC(O)CCCCCSugarmoiety:
OCC1OC(O)C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 584.61 | Num_heavy_atoms: | 40 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD04132
Formula: C8H16O
Smiles:
C=CC(O)CCCCC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 128.22 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
