Glycoside
GD011994
Name:
ERYCIBOSIDE EFormula:
C29H34O15Smiles:
COc1cc(COC[C@]2(O)CO[C@H](O[C@@H]3[C@H](Oc4cc5oc(=O)ccc5cc4OC)O[C@H](CO)[C@H](O)[C@H]3O)[C@H]2O)ccc1OAglycone:
COCc1ccc(O)c(OC)c1.COc1cc2ccc(=O)oc2cc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 216.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD09077
Formula: C9H12O3
Smiles:
COCc1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
AD09078
Formula: C10H8O4
Smiles:
COc1cc2ccc(=O)oc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
