Glycoside
GD132135
Name:
5-butoxy-5-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C20H30O12Smiles:
CCCCOC1(O)C=C(CO)C2C(OC3OC(CO)C(O)C(O)C3O)OC=C(C(=O)O)C21Aglycone:
CCCCOC1(O)C=C(CO)C2C(O)OC=C(C(=O)O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.45 | Num_heavy_atoms: | 32 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD53495
Formula: C14H20O7
Smiles:
CCCCOC1(O)C=C(CO)C2C(O)OC=C(C(=O)O)C21| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 300.31 | Num_heavy_atoms: | 21 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
