Glycoside
GD149688
Name:
[3,4,5-trihydroxy-6-(pentan-2-yloxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C20H28O9Smiles:
CCCC(C)OC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
CCCC(C)O.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 412.44 | Num_heavy_atoms: | 29 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD45357
Formula: C5H12O
Smiles:
CCCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
