Glycoside
GD143441
Name:
2-(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-chromen-4-oneFormula:
C28H32O17Smiles:
COc1cc2oc(-c3ccc(O)c(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)c3)cc(=O)c2c(O)c1OAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.55 | Num_heavy_atoms: | 45 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD06918
Formula: C16H12O7
Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O| 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 |
