Glycoside
GD138917
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C16H24O9Smiles:
CC1CC(O)C2C(C(=O)OC3OC(CO)C(O)C(O)C3O)=COCC12Aglycone:
CC1CC(O)C2C(C(=O)O)=COCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.36 | Num_heavy_atoms: | 25 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD56043
Formula: C10H14O4
Smiles:
CC1CC(O)C2C(C(=O)O)=COCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
