Glycoside
GD007690
Name:
NoneFormula:
C21H21O5N4ClSmiles:
OC1CCN=C2c3ccn([C@@H]4O[C@H]([C@H](O)c5ccc(Cl)cc5)[C@H](O)[C@H]4O)c3N=CN21Aglycone:
OC1CCN=C2c3cc[nH]c3N=CN21.OCc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 432.86 | Num_heavy_atoms: | 30 |
| TPSA: | 123.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD00253
Formula: C8H7OCl
Smiles:
OCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.59 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD06233
Formula: C9H10ON4
Smiles:
OC1CCN=C2c3cc[nH]c3N=CN21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.21 | Num_heavy_atoms: | 14 |
| TPSA: | 63.98 | NumAromaticRings: | 1 |
