Glycoside
GD125124
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-{3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl}-3-methylpenta-2,4-dienoateFormula:
C21H32O10Smiles:
CC(C=CC1(O)C2(C)COC1(C)CC(O)C2)=CC(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C=CC1(O)C2(C)COC1(C)CC(O)C2)=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.48 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD38933
Formula: C15H22O5
Smiles:
CC(C=CC1(O)C2(C)COC1(C)CC(O)C2)=CC(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
