Glycoside
GD037996
Name:
n-[2-[4-[(2s)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamideFormula:
C30H38O10N6SSmiles:
O=C(COc1ccccc1)N[C@H](Cc1cn(CCNC(=O)c2ccc(S[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)nn1)C(=O)NCCOAglycone:
O=C(COc1ccccc1)NC(Cc1cn(CCNC(=O)c2ccc(S)cc2)nn1)C(=O)NCCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 16 |
| MolWt: | 674.73 | Num_heavy_atoms: | 47 |
| TPSA: | 237.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD23820
Formula: C24H28O5N6S
Smiles:
O=C(COc1ccccc1)NC(Cc1cn(CCNC(=O)c2ccc(S)cc2)nn1)C(=O)NCCO| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 13 |
| MolWt: | 512.59 | Num_heavy_atoms: | 36 |
| TPSA: | 147.47 | NumAromaticRings: | 3 |
