Glycoside
GD019513
Name:
NoneFormula:
C19H24O6N6Smiles:
Cc1cc(COC[C@@H]2OC(n3cnc4c(NC5CCOC5)ncnc43)[C@H](O)[C@H]2O)no1Aglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COCc1cc(C)on1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.44 | Num_heavy_atoms: | 31 |
| TPSA: | 149.81 | 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 |
AD13618
Formula: C6H9O2N
Smiles:
COCc1cc(C)on1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.14 | Num_heavy_atoms: | 9 |
| TPSA: | 35.26 | NumAromaticRings: | 1 |
