Glycoside
GD127612
Name:
2-[(7-{[(3,4-dihydroxyoxan-2-yl)oxy]methyl}-5-hydroxy-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H30O13Smiles:
OCC1OC(OC2OC=C(COC3OCCC(O)C3O)C3C(O)C4OC4C23)C(O)C(O)C1OAglycone:
OCC1=COC(O)C2C3OC3C(O)C12Sugarmoiety:
OC1CCOC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -4.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.45 | Num_heavy_atoms: | 33 |
| TPSA: | 200.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD49086
Formula: C9H12O5
Smiles:
OCC1=COC(O)C2C3OC3C(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
