Glycoside
GD142613
Name:
1-cyclohexyl-3-({3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl}methyl)ureaFormula:
C20H35O5N3Smiles:
CC1CCN(C(=O)CC2OC(CN=C(O)NC3CCCCC3)C(O)C2O)CC1Aglycone:
CC(=O)N1CCC(C)CC1.CN=C(O)NC1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.52 | Num_heavy_atoms: | 28 |
| TPSA: | 114.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD22961
Formula: C8H15ON
Smiles:
CC(=O)N1CCC(C)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 141.21 | Num_heavy_atoms: | 10 |
| TPSA: | 20.31 | 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 |
