Glycoside
GD131889
Name:
RetamatriosideFormula:
C33H40O20Smiles:
COc1cc(O)c2c(=O)c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)c(-c3ccc(O)c(OC)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 12 |
| MolWt: | 756.66 | Num_heavy_atoms: | 53 |
| TPSA: | 306.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD13813
Formula: C17H14O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1| 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 |
