Glycoside
GD116497
Name:
NoneFormula:
C19H30O5N4SSmiles:
COCCN=C(O)CC1OC(CN=C(S)Nc2ccc(N(C)C)cc2)C(O)C1OAglycone:
CN=C(S)Nc1ccc(N(C)C)cc1.COCCN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 426.54 | Num_heavy_atoms: | 29 |
| TPSA: | 119.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD46271
Formula: C10H15N3S
Smiles:
CN=C(S)Nc1ccc(N(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.32 | Num_heavy_atoms: | 14 |
| TPSA: | 27.63 | NumAromaticRings: | 1 |
AD46272
Formula: C5H11O2N
Smiles:
COCCN=C(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
