Glycoside
GD148764
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 8-[(3,5-dihydroxy-6-methyloxan-2-yl)oxy]non-2-enoateFormula:
C21H36O11Smiles:
CC(CCCCC=CC(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C)C(O)CC1OAglycone:
CC(O)CCCCC=CC(=O)OSugarmoiety:
CC1OC(O)C(O)CC1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 10 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD10167
Formula: C9H16O3
Smiles:
CC(O)CCCCC=CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 172.22 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
