Glycoside
GD149936
Name:
6,7-dihydroxy-7-(hydroxymethyl)-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 2-methylbutanoateFormula:
C21H34O12Smiles:
CCC(C)C(=O)OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C2CC(O)C(O)(CO)C12Aglycone:
CCC(C)C(=O)OC1OC=C(CO)C2CC(O)C(O)(CO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.49 | Num_heavy_atoms: | 33 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD59926
Formula: C15H24O7
Smiles:
CCC(C)C(=O)OC1OC=C(CO)C2CC(O)C(O)(CO)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.35 | Num_heavy_atoms: | 22 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
