Glycoside
GD135721
Name:
4,5-dihydroxy-2-{[6-hydroxy-7-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-yl]methoxy}-6-(hydroxymethyl)oxan-3-yl acetateFormula:
C18H28O10Smiles:
CC(=O)OC1C(OCC2=COCC3C2CC(O)C3CO)OC(CO)C(O)C1OAglycone:
OCC1=COCC2C1CC(O)C2COSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.41 | Num_heavy_atoms: | 28 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54873
Formula: C10H16O4
Smiles:
OCC1=COCC2C1CC(O)C2CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 200.23 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
