Glycoside
GD141547
Name:
NoneFormula:
C21H22O9Smiles:
OCC1OC(OC2=Cc3ccccc3[OH+][C]2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
OC1=Cc2ccccc2[OH+]C1c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.4 | Num_heavy_atoms: | 30 |
| TPSA: | 152.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD57011
Formula: C15H13O4
Smiles:
OC1=Cc2ccccc2[OH+]C1c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 257.26 | Num_heavy_atoms: | 19 |
| TPSA: | 73.49 | NumAromaticRings: | 2 |
