Glycoside
GD004991
Name:
NoneFormula:
C21H20O13Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(OC[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12Aglycone:
COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 480.38 | Num_heavy_atoms: | 34 |
| TPSA: | 230.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD04282
Formula: C16H12O8
Smiles:
COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
