Glycoside
GD133388
Name:
5-hydroxy-2-(4-hydroxycyclohex-1-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-2H-1-benzopyran-4-oneFormula:
C21H32O10Smiles:
O=C1CC(C2=CCC(O)CC2)OC2CC(OC3OC(CO)C(O)C(O)C3O)CC(O)C12Aglycone:
O=C1CC(C2=CCC(O)CC2)OC2CC(O)CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45392
Formula: C15H22O5
Smiles:
O=C1CC(C2=CCC(O)CC2)OC2CC(O)CC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
