Glycoside
GD115265
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoateFormula:
C26H34O13Smiles:
COc1ccc2cc(C(C)C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)ccc2c1Aglycone:
COc1ccc2cc(C(C)C(=O)O)ccc2c1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 204.83 | 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 |
