Glycoside
GD154953
Name:
1,2,4,5,6-pentahydroxyhexan-3-yl 1-{2-[N-methyl-3-phenyl-2-(phenylformamido)propanamido]acetyl}pyrrolidine-2-carboxylateFormula:
C30H39O10N3Smiles:
CN(CC(=O)N1CCCC1C(=O)OC(C(O)CO)C(O)C(O)CO)C(=O)C(Cc1ccccc1)N=C(O)c1ccccc1Aglycone:
CN(CC(=O)N1CCCC1C=O)C(=O)C(Cc1ccccc1)N=C(O)c1ccccc1Sugarmoiety:
OCC(O)C(O)C(OO)C(O)COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 14 |
| MolWt: | 601.65 | Num_heavy_atoms: | 43 |
| TPSA: | 200.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD61502
Formula: C24H27O4N3
Smiles:
CN(CC(=O)N1CCCC1C=O)C(=O)C(Cc1ccccc1)N=C(O)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.5 | Num_heavy_atoms: | 31 |
| TPSA: | 90.28 | NumAromaticRings: | 2 |
