Glycoside
GD107026
Name:
2,4-dihydroxy-3,5-bis({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})hexanedioic acidFormula:
C26H26O14Smiles:
COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@H](O)C(=O)O)ccc1OAglycone:
COc1cc(C=CC=O)ccc1O.COc1cc(C=CC=O)ccc1OSugarmoiety:
O=C(O)C(O)C(OO)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.23 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 562.48 | Num_heavy_atoms: | 40 |
| TPSA: | 226.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
