Glycoside
GD117616
Name:
4-({3,5-dihydroxy-6-methyl-4-[(2-methylbut-2-enoyl)oxy]oxan-2-yl}oxy)-6-[2-hydroxy-3-methyl-6-(propan-2-yl)phenoxy]-2-methyl-5-[(3-methylbutanoyl)oxy]oxan-3-yl 2-methylbut-2-enoateFormula:
C37H54O13Smiles:
CC=C(C)C(=O)OC1C(O)C(C)OC(OC2C(OC(=O)C(C)=CC)C(C)OC(Oc3c(C(C)C)ccc(C)c3O)C2OC(=O)CC(C)C)C1OAglycone:
CC(C)CC(=O)O.CC=C(C)C(=O)O.CC=C(C)C(=O)O.Cc1ccc(C(C)C)c(O)c1OSugarmoiety:
CC1OC(OC2C(O)C(C)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 12 |
| MolWt: | 706.83 | Num_heavy_atoms: | 50 |
| TPSA: | 176.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46919
Formula: C10H14O2
Smiles:
Cc1ccc(C(C)C)c(O)c1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
