Glycoside
GD142279
Name:
1,3,9-trihydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10,12-dihydro-5,11-dioxatetraphen-12-oneFormula:
C22H20O12Smiles:
O=c1c2c(oc3cc(O)cc(O)c13)-c1ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c1CO2Aglycone:
O=c1c2c(oc3cc(O)cc(O)c13)-c1ccc(O)c(O)c1CO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.39 | Num_heavy_atoms: | 34 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD57264
Formula: C16H10O7
Smiles:
O=c1c2c(oc3cc(O)cc(O)c13)-c1ccc(O)c(O)c1CO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
