Glycoside
GD008512
Name:
5-[(3-hydroxy-2-methylbutanoyl)oxy]-6-methyl-2-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 11-hydroxytetradecanoateFormula:
C37H66O18Smiles:
CCC[C@H](O)CCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2C(O)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](C)[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(O)C(C)C(=O)O.CCCC(O)CCCCCCCCCC(=O)OSugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 21 |
| MolWt: | 798.92 | Num_heavy_atoms: | 55 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD02264
Formula: C5H10O3
Smiles:
CC(O)C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD06792
Formula: C14H28O3
Smiles:
CCCC(O)CCCCCCCCCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
