Glycoside
GD130276
Name:
Dodegranoside DFormula:
C33H36O17Smiles:
O=C(C=Cc1ccc(O)c(Oc2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)c1)OCC1OC(Oc2ccccc2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(Oc2ccc(O)c(O)c2)c1.Oc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 704.63 | Num_heavy_atoms: | 50 |
| TPSA: | 274.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD02518
Formula: C6H6O2
Smiles:
Oc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD52790
Formula: C16H14O6
Smiles:
COC(=O)C=Cc1ccc(O)c(Oc2ccc(O)c(O)c2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
