Glycoside
GD146146
Name:
6-chloro-7-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxybenzoateFormula:
C23H27O12ClSmiles:
O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C(O)(CO)C1Cl)c1ccc(O)cc1Aglycone:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1Cl)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.9 | Num_heavy_atoms: | 35 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD58620
Formula: C17H17O7Cl
Smiles:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1Cl)c1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.76 | Num_heavy_atoms: | 24 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
