Glycoside
GD124967
Name:
NoneFormula:
C21H22O11Smiles:
OCC1OC(OC2=C(O)c3ccc(O)cc3[OH+][C]2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
OC1=C(O)C(c2ccc(O)c(O)c2)[OH+]c2cc(O)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 193.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD50530
Formula: C15H13O6
Smiles:
OC1=C(O)C(c2ccc(O)c(O)c2)[OH+]c2cc(O)ccc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.95 | NumAromaticRings: | 2 |
