Glycoside
GD140267
Name:
4-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-4-oxobutanoic acidFormula:
C25H26O15Smiles:
O=C(O)CC(O)C(=O)OCC1OC(OC2=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C2)C(O)C(O)C1OAglycone:
COC(=O)C(O)CC(=O)O.OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.47 | Num_heavy_atoms: | 40 |
| TPSA: | 253.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD17890
Formula: C15H12O6
Smiles:
OC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
AD46285
Formula: C5H8O5
Smiles:
COC(=O)C(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 148.11 | Num_heavy_atoms: | 10 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
