Glycoside
GD141802
Name:
3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3-methoxybenzoateFormula:
C19H26O13Smiles:
COc1cc(C(=O)OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)ccc1OAglycone:
COc1cc(C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.4 | Num_heavy_atoms: | 32 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
