Glycoside
GD138529
Name:
2-[(3,5-dihydroxy-2-{[5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H32O15Smiles:
OCC1OC(OC2C(O)C(CO)OC(OC3OC=CC4C(O)C5OC5(CO)C34)C2O)C(O)C(O)C1OAglycone:
OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -5.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.47 | Num_heavy_atoms: | 36 |
| TPSA: | 240.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD04913
Formula: C9H12O5
Smiles:
OCC12OC1C(O)C1C=COC(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 |
