Glycoside
GD142988
Name:
NoneFormula:
C18H27O6N3Smiles:
COCCN=C(O)CC1OC(CN=C(O)Nc2ccc(C)cc2)C(O)C1OAglycone:
CN=C(O)Nc1ccc(C)cc1.COCCN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 381.43 | Num_heavy_atoms: | 27 |
| TPSA: | 136.13 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD46565
Formula: C9H12ON2
Smiles:
CN=C(O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 44.62 | NumAromaticRings: | 1 |
