Glycoside
GD133667
Name:
[3,4,5-trihydroxy-6-({8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydro-1H-cyclopenta[e]azulen-4-yl}oxy)oxan-2-yl]methyl formateFormula:
C23H30O9Smiles:
C=C1CC(OC2OC(COC=O)C(O)C(O)C2O)C2C(=C)C(=O)CC2C2C(=C)C(O)CC12Aglycone:
C=C1CC(O)C2C(=C)C(=O)CC2C2C(=C)C(O)CC12Sugarmoiety:
O=COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.48 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54084
Formula: C16H20O3
Smiles:
C=C1CC(O)C2C(=C)C(=O)CC2C2C(=C)C(O)CC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.33 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
