Glycoside
GD145758
Name:
5-[1-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl]-3-methylpenta-2,4-dienoic acidFormula:
C21H34O10Smiles:
CC(C=CC1(O)C(C)(CO)CCCC1(C)OC1OC(CO)C(O)C(O)C1O)=CC(=O)OAglycone:
CC(C=CC1(O)C(C)(O)CCCC1(C)CO)=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.49 | Num_heavy_atoms: | 31 |
| TPSA: | 177.14 | 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 |
