Glycoside
GD145379
Name:
2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acidFormula:
C22H18O11Smiles:
O=C(C=Cc1ccc(O)cc1)OC(C(=O)O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)OAglycone:
O=CC=Cc1ccc(O)c(O)c1.O=CC=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.09 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.38 | Num_heavy_atoms: | 33 |
| TPSA: | 187.89 | NumAromaticRings: | 2 |
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 |
AD03800
Formula: C9H8O2
Smiles:
O=CC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
