Glycoside
GD125163
Name:
3,5-dihydroxy-2-({5-hydroxy-6-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-9-yl}methoxy)-6-(hydroxymethyl)-4-(4-hydroxyphenyl)oxan-4-yl acetateFormula:
C29H34O11Smiles:
C=C1C(=O)OC2C1CC(O)C(C)=C1CC=C(COC3OC(CO)C(O)C(OC(C)=O)(c4ccc(O)cc4)C3O)C12Aglycone:
C=C1C(=O)OC2C1CC(O)C(C)=C1CC=C(CO)C12.Oc1ccccc1Sugarmoiety:
CC(=O)OC1(O)C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD45457
Formula: C15H18O4
Smiles:
C=C1C(=O)OC2C1CC(O)C(C)=C1CC=C(CO)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
