Glycoside
GD150096
Name:
7-(hydroxymethyl)-1-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy]-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C16H22O10Smiles:
COC1OC(OC2OC=C(C(=O)O)C3CC=C(CO)C23)C(O)C(O)C1OAglycone:
O=C(O)C1=COC(O)C2C(CO)=CCC12Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.34 | Num_heavy_atoms: | 26 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD05149
Formula: C10H12O5
Smiles:
O=C(O)C1=COC(O)C2C(CO)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
