Glycoside
GD039999
Name:
2-[2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoateFormula:
C43H57O10N5Smiles:
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)OCCOCCOCCn1cc(CO[C@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)nn1Aglycone:
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)OCCOCCOCCn1cc(CO)nn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.51 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 20 |
| MolWt: | 803.95 | Num_heavy_atoms: | 58 |
| TPSA: | 170.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD24632
Formula: C37H47O6N5
Smiles:
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)OCCOCCOCCn1cc(CO)nn1| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 18 |
| MolWt: | 657.81 | Num_heavy_atoms: | 48 |
| TPSA: | 111.41 | NumAromaticRings: | 4 |
