Glycoside
GD036427
Name:
NoneFormula:
C27H30O4N3ClSSmiles:
CNC(=S)NC[C@@H]1O[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=S)NC.Clc1cccc2[nH]cc(Cc3ccc(C4CC4)cc3)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.06 | Num_heavy_atoms: | 35 |
| TPSA: | 98.91 | 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 |
AD22972
Formula: C3H8N2S
Smiles:
CNC(=S)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 104.18 | Num_heavy_atoms: | 6 |
| TPSA: | 24.06 | NumAromaticRings: | 0 |
