Glycoside
GD137431
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 2-{[(tert-butoxy)carbonyl]amino}-3-[(2-{[(tert-butoxy)carbonyl]amino}-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]propyl)disulfanyl]propanoateFormula:
C28H48O18N2S2Smiles:
CC(C)(C)OC(O)=NC(CSSCC(N=C(O)OC(C)(C)C)C(=O)OCC1OC(O)C(O)C(O)C1O)C(=O)OCC1OC(O)C(O)C(O)C1OAglycone:
COC(=O)C(CSSCC(N=C(O)OC(C)(C)C)C(=O)OC)N=C(O)OC(C)(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.86 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 764.82 | Num_heavy_atoms: | 50 |
| TPSA: | 316.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD55524
Formula: C18H32O8N2S2
Smiles:
COC(=O)C(CSSCC(N=C(O)OC(C)(C)C)C(=O)OC)N=C(O)OC(C)(C)C| HBA: | 10 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.59 | Num_heavy_atoms: | 30 |
| TPSA: | 136.24 | NumAromaticRings: | 0 |
