Glycoside
GD037792
Name:
n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-d-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamideFormula:
C33H42O10N3ClSSmiles:
CC(C)N1CCC(C(=O)Nc2c(OCCCO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cccc2OCc2cc(-c3ccc(Cl)s3)on2)CC1Aglycone:
CC(C)N1CCC(C(=O)Nc2c(OCCCO)cccc2OCc2cc(-c3ccc(Cl)s3)on2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 696.22 | Num_heavy_atoms: | 47 |
| TPSA: | 176.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD16834
Formula: C27H32O5N3ClS
Smiles:
CC(C)N1CCC(C(=O)Nc2c(OCCCO)cccc2OCc2cc(-c3ccc(Cl)s3)on2)CC1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 11 |
| MolWt: | 534.08 | Num_heavy_atoms: | 36 |
| TPSA: | 97.06 | NumAromaticRings: | 3 |
