Glycoside
GD134623
Name:
3-[(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl)oxy]-3-oxopropanoic acidFormula:
C26H26O13Smiles:
COc1ccc(-c2c(OC(=O)CC(=O)O)oc3cc(OC4OC(CO)C(C)C(O)C4O)cc(O)c3c2=O)cc1Aglycone:
COc1ccc(-c2c(OC(=O)CC(=O)O)oc3cc(O)cc(O)c3c2=O)cc1Sugarmoiety:
CC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 202.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD54454
Formula: C19H14O9
Smiles:
COc1ccc(-c2c(OC(=O)CC(=O)O)oc3cc(O)cc(O)c3c2=O)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.31 | Num_heavy_atoms: | 28 |
| TPSA: | 143.5 | NumAromaticRings: | 3 |
