Glycoside
GD155010
Name:
2-[(5-hydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-6-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H32O15Smiles:
CC12OC1C(O)C1(OC3OC(CO)C(O)C(O)C3O)C=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC12OC1C(O)C1(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -5.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.47 | Num_heavy_atoms: | 36 |
| TPSA: | 240.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD05723
Formula: C9H12O5
Smiles:
CC12OC1C(O)C1(O)C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
