Glycoside
GD012416
Name:
NoneFormula:
C25H28O6NClSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ccc4c(c3)NCCC4)c(Cl)c3c2CCO3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1c(Cc2ccc3c(c2)NCCC3)ccc2c1OCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 461.94 | Num_heavy_atoms: | 32 |
| TPSA: | 111.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD09366
Formula: C19H18ONCl
Smiles:
Clc1c(Cc2ccc3c(c2)NCCC3)ccc2c1OCC2| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.8 | Num_heavy_atoms: | 21 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
