Glycoside
GD015448
Name:
NoneFormula:
C22H26O5N6SSmiles:
O[C@@H]1C(n2cnc3c(NC4CCOC4)ncnc32)O[C@@H](COC(S)=NCc2ccccc2)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COC(S)=NCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.55 | Num_heavy_atoms: | 34 |
| TPSA: | 136.14 | 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 |
AD11224
Formula: C9H11ONS
Smiles:
COC(S)=NCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.26 | Num_heavy_atoms: | 12 |
| TPSA: | 21.59 | NumAromaticRings: | 1 |
