Glycoside
GD019487
Name:
NoneFormula:
C21H22O5N5ClSmiles:
O[C@@H]1C(n2cnc3c(NC4CCOC4)ncnc32)O[C@@H](COc2ccccc2Cl)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.COc1ccccc1ClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.88 | Num_heavy_atoms: | 31 |
| TPSA: | 123.78 | 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 |
AD13602
Formula: C8H7OCl
Smiles:
COc1ccccc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.58 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
