Glycoside
GD154026
Name:
7-(hydroxymethyl)-4-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C27H42O15Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2CC=C(CO)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC=C(CO)C12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 11 |
| MolWt: | 606.62 | Num_heavy_atoms: | 42 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD55361
Formula: C15H22O5
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC=C(CO)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
