Glycoside
GD019946
Name:
MEBENOSIDEFormula:
C28H32O6Smiles:
COC1O[C@H]([C@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OAglycone:
OCc1ccccc1.c1ccc(COCCOCc2ccccc2)cc1Sugarmoiety:
COC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 12 |
| MolWt: | 464.56 | Num_heavy_atoms: | 34 |
| TPSA: | 66.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD05556
Formula: C16H18O2
Smiles:
c1ccc(COCCOCc2ccccc2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 242.32 | Num_heavy_atoms: | 18 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
