Glycoside
GD116926
Name:
9-(hydroxymethyl)-3,6-dimethylidene-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2-oneFormula:
C21H30O9Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CCC(CO)(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
C=C1C(=O)OC2C1CCC(=C)C1CCC(O)(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46532
Formula: C15H20O4
Smiles:
C=C1C(=O)OC2C1CCC(=C)C1CCC(O)(CO)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
