Glycoside
GD140944
Name:
N-{[5-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}cyclopropanecarboxamideFormula:
C15H27O5N3Smiles:
CN(C)CCN=C(O)CC1OC(CN=C(O)C2CC2)C(O)C1OAglycone:
CC(O)=NCCN(C)C.CN=C(O)C1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 329.4 | Num_heavy_atoms: | 23 |
| TPSA: | 118.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD44951
Formula: C5H9ON
Smiles:
CN=C(O)C1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
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 |
