Glycoside
GD035493
Name:
NoneFormula:
C28H28O5N2Cl2Smiles:
O=C(CCl)NC[C@@H]1O[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)CCl.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 519.43 | Num_heavy_atoms: | 35 |
| TPSA: | 103.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD00150
Formula: C19H16NCl
Smiles:
Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 281.79 | Num_heavy_atoms: | 20 |
| TPSA: | 15.79 | NumAromaticRings: | 3 |
AD22452
Formula: C4H6ONCl
Smiles:
CNC(=O)CCl| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 107.54 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
