Glycoside
GD156374
Name:
PhellavinFormula:
C26H32O12Smiles:
CC(C)(O)CCc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)cc1)O2Aglycone:
CC(C)(O)CCc1c(O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 206.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD61925
Formula: C20H22O7
Smiles:
CC(C)(O)CCc1c(O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)cc1)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
