Glycoside
GD145242
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)-3-methylpenta-2,4-dienoateFormula:
C21H34O9Smiles:
CC(C=CC1(O)C(C)CC(O)CC1(C)C)=CC(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C=CC1(O)C(C)CC(O)CC1(C)C)=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD58316
Formula: C15H24O4
Smiles:
CC(C=CC1(O)C(C)CC(O)CC1(C)C)=CC(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
