Glycoside
GD020598
Name:
SESAMINOL MONOGLUCOSIDEFormula:
C26H28O12Smiles:
OC[C@@H]1O[C@H](Oc2cc3c(cc2[C@@H]2OC[C@@H]4[C@H](c5ccc6c(c5)OCO6)OC[C@H]24)OCO3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 532.5 | Num_heavy_atoms: | 38 |
| TPSA: | 154.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD14203
Formula: C20H18O7
Smiles:
Oc1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
