Glycoside
GD125199
Name:
(5-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9-oxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl acetateFormula:
C18H26O10Smiles:
CC(=O)OCC12CC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=O)OCC12CC1C(O)C1C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 402.4 | Num_heavy_atoms: | 28 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD50627
Formula: C12H16O5
Smiles:
CC(=O)OCC12CC1C(O)C1C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.26 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
