Glycoside
GD007437
Name:
CIBOTIUMBAROSIDE BFormula:
C22H30O13Smiles:
CO[C@@H]1C[C@](O)(CO[C@@H]2O[C@H](CO)[C@H](OC(=O)C=Cc3ccc(O)c(O)c3)[C@H](O)[C@H]2O)[C@H](OC)O1Aglycone:
O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
COC1CC(O)(COC2OC(CO)C(O)C(O)C2O)C(OC)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.47 | Num_heavy_atoms: | 35 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
