Glycoside
GD038045
Name:
5-(2,5-dioxopyrrolidin-1-yl)-n-[2-(2-{2-[(4-o-alpha-d-idopyranosyl-alpha-d-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamideFormula:
C27H46O16N2Smiles:
O=C(CCCCN1C(=O)CCC1=O)NCCOCCOCCO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
O=C(CCCCN1C(=O)CCC1=O)NCCOCCOCCOSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -4.9 | Num_rotatable_bonds: | 19 |
| MolWt: | 654.66 | Num_heavy_atoms: | 45 |
| TPSA: | 263.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD23841
Formula: C15H26O6N2
Smiles:
O=C(CCCCN1C(=O)CCC1=O)NCCOCCOCCO| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 13 |
| MolWt: | 330.38 | Num_heavy_atoms: | 23 |
| TPSA: | 105.17 | NumAromaticRings: | 0 |
