Glycoside
GD140272
Name:
3-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-6-yl]oxy}-3-oxopropanoic acidFormula:
C24H22O15Smiles:
O=C(O)CC(=O)Oc1c(OC2OC(CO)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OAglycone:
O=C(O)CC(=O)Oc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.43 | Num_heavy_atoms: | 39 |
| TPSA: | 253.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD56564
Formula: C18H12O10
Smiles:
O=C(O)CC(=O)Oc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.28 | Num_heavy_atoms: | 28 |
| TPSA: | 174.73 | NumAromaticRings: | 3 |
