Glycoside
GD141212
Name:
3-[(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acidFormula:
C25H24O15Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)cc(O)c2c1=OAglycone:
COC(=O)CC(=O)O.COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.45 | Num_heavy_atoms: | 40 |
| TPSA: | 242.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD09931
Formula: C16H12O7
Smiles:
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
