Glycoside
GD136776
Name:
4-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,8aH-pyrano[4,3-c]pyran-1-oneFormula:
C15H22O9Smiles:
CC1COC(=O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1COC(=O)C2C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.33 | Num_heavy_atoms: | 24 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55286
Formula: C9H12O4
Smiles:
CC1COC(=O)C2C=COC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
