Glycoside
GD122391
Name:
NoneFormula:
C16H25O6N3Smiles:
CN(C)CCN=C(O)CC1OC(CNC(=O)c2ccco2)C(O)C1OAglycone:
CC(O)=NCCN(C)C.CNC(=O)c1ccco1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 355.39 | Num_heavy_atoms: | 25 |
| TPSA: | 127.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD18098
Formula: C6H7O2N
Smiles:
CNC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.24 | NumAromaticRings: | 1 |
AD45401
Formula: C6H14ON2
Smiles:
CC(O)=NCCN(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.19 | Num_heavy_atoms: | 9 |
| TPSA: | 35.83 | NumAromaticRings: | 0 |
