Glycoside
GD122308
Name:
HaemocorinFormula:
C32H34O14Smiles:
COc1cc2c3c(c(-c4ccccc4)ccc3c1O)C(=O)C(OC1OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C1O)=C2Aglycone:
COc1cc2c3c(c(-c4ccccc4)ccc3c1O)C(=O)C(O)=C2Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.61 | Num_heavy_atoms: | 46 |
| TPSA: | 225.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD49272
Formula: C20H14O4
Smiles:
COc1cc2c3c(c(-c4ccccc4)ccc3c1O)C(=O)C(O)=C2| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.33 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 3 |
