Glycoside
GD147929
Name:
7-(hydroxymethyl)-5-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C17H24O11Smiles:
COC1C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C12Aglycone:
COC1C=C(CO)C2C(O)OC=C(C(=O)O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59222
Formula: C11H14O6
Smiles:
COC1C=C(CO)C2C(O)OC=C(C(=O)O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
