Glycoside
GD145009
Name:
1-(furan-2-yl)-4-hydroxy-5,8a-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6,7,8,8a-hexahydro-1H-isochromen-3-oneFormula:
C21H28O10Smiles:
CC1C2=C(O)C(=O)OC(c3ccco3)C2(C)CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1C2=C(O)C(=O)OC(c3ccco3)C2(C)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 159.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD58237
Formula: C15H18O5
Smiles:
CC1C2=C(O)C(=O)OC(c3ccco3)C2(C)CCC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 1 |
