Glycoside
GD129652
Name:
N-({3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl}methyl)morpholine-4-carboxamideFormula:
C22H32O6N4Smiles:
O=C(CC1OC(CN=C(O)N2CCOCC2)C(O)C1O)N1CCN(c2ccccc2)CC1Aglycone:
CC(=O)N1CCN(c2ccccc2)CC1.CN=C(O)N1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.52 | Num_heavy_atoms: | 32 |
| TPSA: | 118.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD21283
Formula: C12H16ON2
Smiles:
CC(=O)N1CCN(c2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.27 | Num_heavy_atoms: | 15 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD46358
Formula: C6H12O2N2
Smiles:
CN=C(O)N1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
