Glycoside
GD124413
Name:
4,5-dihydroxy-2-({4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-9-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetateFormula:
C29H32O12Smiles:
C=C1C(=O)OC2C3C(COC4OC(CO)C(O)C(O)C4OC(=O)Cc4ccc(O)cc4)=CC(=O)C3=C(C)CC(O)C12Aglycone:
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(O)C12.O=C(O)Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 572.56 | Num_heavy_atoms: | 41 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD50256
Formula: C15H16O5
Smiles:
C=C1C(=O)OC2C3C(CO)=CC(=O)C3=C(C)CC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
