Glycoside
GD033088
Name:
NoneFormula:
C25H26O6Smiles:
O=C1c2ccc(OC[C@H](O)[C@H](O)CO)cc2C2(CCCCC2)c2oc3ccccc3c21Aglycone:
O=C1c2ccccc2C2(CCCCC2)c2oc3ccccc3c21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.48 | Num_heavy_atoms: | 31 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD21145
Formula: C21H18O2
Smiles:
O=C1c2ccccc2C2(CCCCC2)c2oc3ccccc3c21| HBA: | 2 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 5.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 302.37 | Num_heavy_atoms: | 23 |
| TPSA: | 30.21 | NumAromaticRings: | 3 |
