Glycoside
GD138851
Name:
7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbaldehydeFormula:
C16H24O9Smiles:
O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)CCC12Aglycone:
O=CC1=COC(O)C2C(CO)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.36 | Num_heavy_atoms: | 25 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD56019
Formula: C10H14O4
Smiles:
O=CC1=COC(O)C2C(CO)CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
