Glycoside
GD123248
Name:
[3,4,5-trihydroxy-6-(2,3,4-trihydroxy-3-methylbutoxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C20H28O12Smiles:
CC(O)(CO)C(O)COC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC(O)(CO)C(O)COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 460.43 | Num_heavy_atoms: | 32 |
| TPSA: | 206.6 | 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 |
