Glycoside
GD040538
Name:
4-(n-benzylsuccinimide-3-sulfanyl)-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)butylamidineFormula:
C26H37O11N3SSmiles:
N=C(CCCS[C@@H]1CC(=O)N(Cc2ccccc2)C1=O)N[C@H]1O[C@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
N=C(N)CCCSC1CC(=O)N(Cc2ccccc2)C1=OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 599.66 | Num_heavy_atoms: | 41 |
| TPSA: | 222.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD24803
Formula: C15H19O2N3S
Smiles:
N=C(N)CCCSC1CC(=O)N(Cc2ccccc2)C1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 305.4 | Num_heavy_atoms: | 21 |
| TPSA: | 87.25 | NumAromaticRings: | 1 |
