Glycoside
GD128082
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-{[(tert-butoxy)carbonyl]oxy}phenyl)propanoateFormula:
C25H37O12NSmiles:
CC(C)(C)OC(=O)Oc1ccc(CC(N=C(O)OC(C)(C)C)C(=O)OCC2OC(O)C(O)C(O)C2O)cc1Aglycone:
COC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)N=C(O)OC(C)(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 543.57 | Num_heavy_atoms: | 38 |
| TPSA: | 193.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD51885
Formula: C20H29O7N
Smiles:
COC(=O)C(Cc1ccc(OC(=O)OC(C)(C)C)cc1)N=C(O)OC(C)(C)C| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 395.45 | Num_heavy_atoms: | 28 |
| TPSA: | 103.65 | NumAromaticRings: | 1 |
