Glycoside
GD134704
Name:
7-(hydroxymethyl)-4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C25H32O11Smiles:
CC1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)CC(OC(=O)C=Cc3ccc(O)cc3)C12Aglycone:
CC1=COC(O)C2C(CO)CC(OC(=O)C=Cc3ccc(O)cc3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD54484
Formula: C19H22O6
Smiles:
CC1=COC(O)C2C(CO)CC(OC(=O)C=Cc3ccc(O)cc3)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
