Glycoside
GD132504
Name:
16-ethyl-6-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dioneFormula:
C29H46O9Smiles:
CCC1OC(=O)C=CC(C)C(O)C(C)CC(C)C(=O)C=CC=CC1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)C=CC(C)C(O)C(C)CC(C)C(=O)C=CC=CC1COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 538.68 | Num_heavy_atoms: | 38 |
| TPSA: | 120.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD53655
Formula: C21H32O5
Smiles:
CCC1OC(=O)C=CC(C)C(O)C(C)CC(C)C(=O)C=CC=CC1CO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 364.48 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
