Glycoside
GD021590
Name:
TROXERUTINFormula:
C33H42O19Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c(O)c(-c2ccc(OCCO)c(OCCO)c2)oc2cc(OCCO)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 15 |
| MolWt: | 742.68 | Num_heavy_atoms: | 52 |
| TPSA: | 297.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD07215
Formula: C21H22O10
Smiles:
O=c1c(O)c(-c2ccc(OCCO)c(OCCO)c2)oc2cc(OCCO)cc(O)c12| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 159.05 | NumAromaticRings: | 3 |
