Glycoside
GD023919
Name:
3,4,5-trihydroxy-6-{[2-(6-methoxynaphthalen-2-yl)propanoyl]oxy}oxane-2-carboxylic acidFormula:
C20H22O9Smiles:
COc1ccc2cc([C@H](C)C(=O)O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)ccc2c1Aglycone:
COc1ccc2cc(C(C)C(=O)O)ccc2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 142.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD16037
Formula: C14H14O3
Smiles:
COc1ccc2cc(C(C)C(=O)O)ccc2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.26 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
