Glycoside
GD010366
Name:
NoneFormula:
C29H31O3N6ClSSmiles:
O[C@H]1[C@H](O)[C@H](CS[C@@H]2CCNC2)O[C@@H]1n1cnc2c(NCCc3ccc(-c4ccccc4)cc3)nc(Cl)nc21Aglycone:
CSC1CCNC1.Clc1nc2c(c(NCCc3ccc(-c4ccccc4)cc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 567.12 | Num_heavy_atoms: | 39 |
| TPSA: | 117.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD08016
Formula: C5H11NS
Smiles:
CSC1CCNC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 117.22 | Num_heavy_atoms: | 7 |
| TPSA: | 12.03 | 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 |
