Glycoside
GD131989
Name:
methyl 6-hydroxy-7-methyl-1-[(3,4,5-trihydroxy-6-{[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]methyl}oxan-2-yl)oxy]-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H40O12Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(OC2OC=C(C(=O)OC)C3CC(O)C(C)C23)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC.COC(=O)C1=COC(O)C2C1CC(O)C2CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 556.61 | Num_heavy_atoms: | 39 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD00333
Formula: C11H16O5
Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
AD16362
Formula: C11H18O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 198.26 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
