Glycoside
GD021123
Name:
NoneFormula:
C20H18O13Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.25 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 466.35 | Num_heavy_atoms: | 33 |
| TPSA: | 230.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD12075
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
