Glycoside
GD033390
Name:
NoneFormula:
C25H27O7ClSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ccc4c(c3)OCCO4)c(Cl)c3c2CCC3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1c(Cc2ccc3c(c2)OCCO3)ccc2c1CCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.93 | Num_heavy_atoms: | 32 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD21309
Formula: C19H17O2Cl
Smiles:
Clc1c(Cc2ccc3c(c2)OCCO3)ccc2c1CCC2| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.79 | Num_heavy_atoms: | 21 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
