Glycoside
GD150346
Name:
6,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3,4-dihydroxybenzoateFormula:
C22H28O14Smiles:
O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C(O)(CO)C1O)c1ccc(O)c(O)c1Aglycone:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -3.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.45 | Num_heavy_atoms: | 36 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD60063
Formula: C16H18O9
Smiles:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1O)c1ccc(O)c(O)c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.31 | Num_heavy_atoms: | 25 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
