Glycoside
GD001450
Name:
(+)-Ovafolinin B-9'-O-Beta-D-GlucopyranosideFormula:
C28H36O13Smiles:
COc1cc2c(c(OC)c1O)[C@@H]1c3c(cc(OC)c(O)c3OC)OC[C@H](C2)[C@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc2c(c(OC)c1O)C1c3c(cc(OC)c(O)c3OC)OCC(C2)C1COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 580.58 | Num_heavy_atoms: | 41 |
| TPSA: | 185.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD01455
Formula: C22H26O8
Smiles:
COc1cc2c(c(OC)c1O)C1c3c(cc(OC)c(O)c3OC)OCC(C2)C1CO| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
