Glycoside
GD124016
Name:
2-methyl-2-({3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxan-2-yl}oxy)butanoic acidFormula:
C19H26O11Smiles:
CCC(C)(OC1OC(COC(=O)c2ccc(O)c(OC)c2)C(O)C(O)C1O)C(=O)OAglycone:
CCC(C)(O)C(=O)O.COC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 430.41 | Num_heavy_atoms: | 30 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD50073
Formula: C5H10O3
Smiles:
CCC(C)(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
