Glycoside
GD123930
Name:
NoneFormula:
C18H28O7N2Smiles:
C#CCN=C(O)CC1OC(CN=C(O)CC(C)(C)CC(=O)OC)C(O)C1OAglycone:
C#CCN=C(C)O.CN=C(O)CC(C)(C)CC(=O)OCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 384.43 | Num_heavy_atoms: | 27 |
| TPSA: | 141.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD50042
Formula: C9H17O3N
Smiles:
CN=C(O)CC(C)(C)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 187.24 | Num_heavy_atoms: | 13 |
| TPSA: | 58.89 | NumAromaticRings: | 0 |
