Glycoside
GD130227
Name:
6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-2-methyloxane-2-carboxylic acidFormula:
C16H18O9Smiles:
CC1(C(=O)O)CC(O)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)O1Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1(C(=O)O)CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.31 | Num_heavy_atoms: | 25 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
