Glycoside
GD030620
Name:
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxy-2-methylbutanoic acidFormula:
C14H16O8Smiles:
C[C@](OC(=O)C=Cc1ccc(O)c(O)c1)(C(=O)O)[C@H](O)COAglycone:
O=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
CC(OO)(C(=O)O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 312.27 | Num_heavy_atoms: | 22 |
| TPSA: | 144.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD03296
Formula: C9H8O3
Smiles:
O=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
