Glycoside
GD139897
Name:
6-[3,4-dihydroxy-6-(hydroxymethyl)-5-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-oneFormula:
C29H34O14Smiles:
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C1OC(CO)C(OC2CC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1.OCC1CC(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 239.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD05008
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
