Glycoside
GD002916
Name:
NoneFormula:
C19H25O3N7SSmiles:
Cn1ccnc1SC[C@@H]1OC(n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.CSc1nccn1CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.52 | Num_heavy_atoms: | 30 |
| TPSA: | 123.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD02718
Formula: C5H8N2S
Smiles:
CSc1nccn1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.2 | Num_heavy_atoms: | 8 |
| TPSA: | 17.82 | NumAromaticRings: | 1 |
