Glycoside
GD034594
Name:
NoneFormula:
C22H23O7ClSSmiles:
CS[C@@H]1O[C@H](c2cc(Cc3ccc4c(c3)OCCO4)c(Cl)cc2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(Cc2ccc3c(c2)OCCO3)c(Cl)c1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.93 | Num_heavy_atoms: | 30 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD21976
Formula: C16H13O3Cl
Smiles:
Oc1ccc(Cc2ccc3c(c2)OCCO3)c(Cl)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 276.72 | Num_heavy_atoms: | 19 |
| TPSA: | 38.69 | NumAromaticRings: | 2 |
