Glycoside
GD013198
Name:
NoneFormula:
C30H33O5N3Cl2Smiles:
O=C(NCCCCl)NC[C@@H]1O[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)NCCCCl.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.49 | Num_heavy_atoms: | 38 |
| TPSA: | 115.98 | 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 |
AD09877
Formula: C6H11ON2Cl
Smiles:
CNC(=O)NCCCCl| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 150.61 | Num_heavy_atoms: | 9 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
