Glycoside
GD037801
Name:
2-{2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoateFormula:
C45H61O12N5Smiles:
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)OCCOCCOCCOCCn1cc(CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)nn1Aglycone:
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)OCCOCCOCCOCCn1cc(CO)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 24 |
| MolWt: | 864.01 | Num_heavy_atoms: | 62 |
| TPSA: | 199.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD23730
Formula: C39H51O7N5
Smiles:
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)OCCOCCOCCOCCn1cc(CO)nn1| HBA: | 12 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 21 |
| MolWt: | 701.86 | Num_heavy_atoms: | 51 |
| TPSA: | 120.64 | NumAromaticRings: | 4 |
