Glycoside
GD120757
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-methyl-5-oxo-2-{14-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pentadecyl}oxolane-3-carboxylateFormula:
C33H58O14Smiles:
CC(CCCCCCCCCCCCCC1OC(=O)C(C)C1C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C)C(O)C(O)C1OAglycone:
CC(O)CCCCCCCCCCCCCC1OC(=O)C(C)C1C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 19 |
| MolWt: | 678.81 | Num_heavy_atoms: | 47 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD48380
Formula: C21H38O5
Smiles:
CC(O)CCCCCCCCCCCCCC1OC(=O)C(C)C1C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 370.53 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
