Glycoside
GD121936
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 8-[(3,5-dihydroxy-6-methyloxan-2-yl)oxy]nonanoateFormula:
C21H38O11Smiles:
CC(CCCCCCC(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C)C(O)CC1OAglycone:
CC(O)CCCCCCC(=O)OSugarmoiety:
CC1OC(O)C(O)CC1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 466.52 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD49110
Formula: C9H18O3
Smiles:
CC(O)CCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 174.24 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
