Glycoside
GD131143
Name:
5-[1-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]cyclohexyl]-3-methylpenta-2,4-dienoic acidFormula:
C21H34O9Smiles:
CC(C=CC1(O)C(C)(CO)CCCC1(C)OC1OC(C)C(O)C(O)C1O)=CC(=O)OAglycone:
CC(C=CC1(O)C(C)(O)CCCC1(C)CO)=CC(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53141
Formula: C15H24O5
Smiles:
CC(C=CC1(O)C(C)(O)CCCC1(C)CO)=CC(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 284.35 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
