Glycoside
GD147933
Name:
NoneFormula:
C18H21O7N3Smiles:
COC(=O)c1ccc(-c2noc(CC3OC(CN=C(C)O)C(O)C3O)n2)cc1Aglycone:
CN=C(C)O.COC(=O)c1ccc(-c2noc(C)n2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.38 | Num_heavy_atoms: | 28 |
| TPSA: | 147.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD38940
Formula: C11H10O3N2
Smiles:
COC(=O)c1ccc(-c2noc(C)n2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.21 | Num_heavy_atoms: | 16 |
| TPSA: | 65.22 | NumAromaticRings: | 2 |
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
