Glycoside
GD039972
Name:
1,5-anhydro-4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-d-glucopyranosyl)-d-glucitolFormula:
C19H35O12NSmiles:
CC1[C@H](O)[C@H](O)[C@H](O)[C@H](N[C@H]2[C@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](CO)OC[C@@H](O)[C@H]3O)O[C@@H]2C)[C@@H]1OAglycone:
CC1C(O)C(N)C(O)C(O)C1OSugarmoiety:
CC1OC(OC2C(CO)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -5.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 469.48 | Num_heavy_atoms: | 32 |
| TPSA: | 221.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD24617
Formula: C7H15O4N
Smiles:
CC1C(O)C(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 177.2 | Num_heavy_atoms: | 12 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
