Glycoside
GD123422
Name:
Cucurbitarin CFormula:
C26H28O8Smiles:
COc1cc(-c2ccccc2)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1-c1ccccc1Aglycone:
COc1cc(-c2ccccc2)c(O)c(OC)c1-c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.5 | Num_heavy_atoms: | 34 |
| TPSA: | 117.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD49804
Formula: C20H18O3
Smiles:
COc1cc(-c2ccccc2)c(O)c(OC)c1-c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.36 | Num_heavy_atoms: | 23 |
| TPSA: | 38.69 | NumAromaticRings: | 3 |
