Glycoside
GD155563
Name:
[6-({5,8-dimethyl-3-methylidene-2,9-dioxo-2H,3H,3aH,4H,4aH,5H,6H,7H,9H,9aH-azuleno[6,5-b]furan-5-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C23H30O10Smiles:
C=C1C(=O)OC2C(=O)C(C)=C3CCC(C)(OC4OC(COC(C)=O)C(O)C(O)C4O)C3CC12Aglycone:
C=C1C(=O)OC2C(=O)C(C)=C3CCC(C)(O)C3CC12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.48 | Num_heavy_atoms: | 33 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD61698
Formula: C15H18O4
Smiles:
C=C1C(=O)OC2C(=O)C(C)=C3CCC(C)(O)C3CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
