Glycoside
GD144441
Name:
(3,4,5-trihydroxy-6-{[4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C26H38O11Smiles:
CC1=C(CCC(C)O)C(C)(C)CC(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C1Aglycone:
CC1=C(CCC(C)O)C(C)(C)CC(O)C1.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.58 | Num_heavy_atoms: | 37 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD17371
Formula: C13H24O2
Smiles:
CC1=C(CCC(C)O)C(C)(C)CC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.33 | Num_heavy_atoms: | 15 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
