Glycoside
GD124908
Name:
6-({[5-(4-butylphenoxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3,4,5-trihydroxybenzoateFormula:
C29H38O15Smiles:
CCCCc1ccc(OC2C(CO)OC(OCC3OC(OC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O)C(O)C2O)cc1Aglycone:
CCCCc1ccc(O)cc1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 11 |
| MolWt: | 626.61 | Num_heavy_atoms: | 44 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD50496
Formula: C10H14O
Smiles:
CCCCc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 150.22 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
