Glycoside
GD124543
Name:
1-[(3,4-dihydroxy-5-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}oxolan-2-yl)methyl]-3-(propan-2-yl)ureaFormula:
C17H23O5N5Smiles:
CC(C)NC(O)=NCC1OC(Cc2nc(-c3ccncc3)no2)C(O)C1OAglycone:
CN=C(O)NC(C)C.Cc1nc(-c2ccncc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 377.4 | Num_heavy_atoms: | 27 |
| TPSA: | 146.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD45951
Formula: C8H7ON3
Smiles:
Cc1nc(-c2ccncc2)no1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 51.81 | NumAromaticRings: | 2 |
AD46637
Formula: C5H12ON2
Smiles:
CN=C(O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
