Glycoside
GD151286
Name:
methyl 4-({3-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3-hydroxybenzoateFormula:
C21H30O13Smiles:
COC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(OC)C2O)c(O)c1Aglycone:
COC(=O)c1ccc(O)c(O)c1Sugarmoiety:
COC1C(O)C(C)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD13436
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
