Glycoside
GD023165
Name:
NoneFormula:
C30H31O5N6ClSSmiles:
O=C(O)[C@@H]1C[C@H](SC[C@@H]2O[C@H](n3cnc4c(NCCc5ccc(-c6ccccc6)cc5)nc(Cl)nc43)[C@H](O)[C@H]2O)CN1Aglycone:
CSC1CNC(C(=O)O)C1.Clc1nc2c(c(NCCc3ccc(-c4ccccc4)cc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 611.12 | Num_heavy_atoms: | 42 |
| TPSA: | 154.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD03189
Formula: C6H11O2NS
Smiles:
CSC1CNC(C(=O)O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.23 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
AD08017
Formula: C20H15N5Cl
Smiles:
Clc1nc2c(c(NCCc3ccc(-c4ccccc4)cc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.82 | Num_heavy_atoms: | 25 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
