Glycoside
GD124145
Name:
3-hydroxy-2-[(4-hydroxyphenyl)methyl]-2-{[3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}butanedioic acidFormula:
C27H30O15Smiles:
COc1cc(C=CC(=O)OC(Cc2ccc(O)cc2)(C(=O)O)C(O)C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CC=O)ccc1O.Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C(O)C(O)(OO)C(=O)O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 12 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 249.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
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 |
