Glycoside
GD122336
Name:
8-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-oneFormula:
C28H32O16Smiles:
COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD49287
Formula: C17H14O7
Smiles:
COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
