Glycoside
GD022137
Name:
DIHYDROBAICALINFormula:
C21H20O11Smiles:
O=C1C[C@H](c2ccccc2)Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(O)c(O)c21Aglycone:
O=C1CC(c2ccccc2)Oc2cc(O)c(O)c(O)c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD15042
Formula: C15H12O5
Smiles:
O=C1CC(c2ccccc2)Oc2cc(O)c(O)c(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
