Glycoside
GD126101
Name:
5-ethenyl-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)-6-methyloxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C18H26O9Smiles:
C=CC1C(OC2OC(C)(CO)C(O)C(O)C2O)OC=C2C(=O)OC(C)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(C)CC21Sugarmoiety:
CC1(CO)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.4 | Num_heavy_atoms: | 27 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47307
Formula: C11H14O4
Smiles:
C=CC1C(O)OC=C2C(=O)OC(C)CC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
