Glycoside
GD146523
Name:
4,7-dimethyl-4a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-oneFormula:
C16H24O8Smiles:
CC1=COC(=O)C2C(C)CCC12OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=COC(=O)C2C(C)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.36 | Num_heavy_atoms: | 24 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58745
Formula: C10H14O3
Smiles:
CC1=COC(=O)C2C(C)CCC12O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
