Glycoside
GD122997
Name:
3,4,5-trihydroxy-6-[({[2-(6-methoxynaphthalen-2-yl)propanoyl]oxy}carbonyl)oxy]oxane-2-carboxylic acidFormula:
C21H22O11Smiles:
COc1ccc2cc(C(C)C(=O)OC(=O)OC3OC(C(=O)O)C(O)C(O)C3O)ccc2c1Aglycone:
COc1ccc2cc(C(C)C(=O)OC(=O)O)ccc2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD49611
Formula: C15H14O5
Smiles:
COc1ccc2cc(C(C)C(=O)OC(=O)O)ccc2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 2 |
