Glycoside
GD137389
Name:
5-hydroxy-7-methyl-1-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C16H24O10Smiles:
CC1CC(O)C2C(C(=O)O)=COC(OC3C(CO)OC(O)C(O)C3O)C12Aglycone:
CC1CC(O)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.36 | Num_heavy_atoms: | 26 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD55508
Formula: C10H14O5
Smiles:
CC1CC(O)C2C(C(=O)O)=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
