Glycoside
GD013511
Name:
NoneFormula:
C27H34O13Smiles:
COc1cc(C[C@@H]2C(=O)OC[C@H]2[C@H](O)c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1OAglycone:
COc1cc(CC2C(=O)OCC2C(O)c2cc(OC)c(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.56 | Num_heavy_atoms: | 40 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD10072
Formula: C21H24O8
Smiles:
COc1cc(CC2C(=O)OCC2C(O)c2cc(OC)c(O)c(OC)c2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 114.68 | NumAromaticRings: | 2 |
