Glycoside
GD130045
Name:
2-(5-{[(cyclohexylcarbamoyl)amino]methyl}-3,4-dihydroxyoxolan-2-yl)-N-[2-(dimethylamino)ethyl]acetamideFormula:
C18H34O5N4Smiles:
CN(C)CCN=C(O)CC1OC(CN=C(O)NC2CCCCC2)C(O)C1OAglycone:
CC(O)=NCCN(C)C.CN=C(O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 386.49 | Num_heavy_atoms: | 27 |
| TPSA: | 130.14 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD45502
Formula: C8H16ON2
Smiles:
CN=C(O)NC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.23 | Num_heavy_atoms: | 11 |
| TPSA: | 44.62 | NumAromaticRings: | 0 |
