Glycoside
GD028790
Name:
NoneFormula:
C18H21O4N7SSmiles:
O[C@@H]1C(n2cnc3c(NC4CCOC4)ncnc32)O[C@@H](CSc2ncccn2)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CSc1ncccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.48 | Num_heavy_atoms: | 30 |
| TPSA: | 140.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD01177
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD18771
Formula: C5H6N2S
Smiles:
CSc1ncccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.18 | Num_heavy_atoms: | 8 |
| TPSA: | 25.78 | NumAromaticRings: | 1 |
