Glycoside
GD121041
Name:
3-[(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-3-(4-methoxyphenyl)-4-oxo-4H-chromen-2-yl)oxy]-3-oxopropanoic acidFormula:
C26H26O12Smiles:
COc1ccc(-c2c(OC(=O)CC(=O)O)oc3cc(OC4OC(CO)C(C)C(O)C4O)ccc3c2=O)cc1Aglycone:
COc1ccc(-c2c(OC(=O)CC(=O)O)oc3cc(O)ccc3c2=O)cc1Sugarmoiety:
CC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.48 | Num_heavy_atoms: | 38 |
| TPSA: | 182.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD48685
Formula: C19H14O8
Smiles:
COc1ccc(-c2c(OC(=O)CC(=O)O)oc3cc(O)ccc3c2=O)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 370.31 | Num_heavy_atoms: | 27 |
| TPSA: | 123.27 | NumAromaticRings: | 3 |
