Glycoside
GD149965
Name:
methyl 4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dimethoxybenzoateFormula:
C21H30O14Smiles:
COC(=O)c1cc(OC)c(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)c(OC)c1Aglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 203.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
