Glycoside
GD118701
Name:
8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-oneFormula:
C28H32O15Smiles:
COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1OAglycone:
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OCSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD08848
Formula: C17H14O6
Smiles:
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
