Glycoside
GD136355
Name:
{3,4,5,6-tetrakis[(2-{[(benzyloxy)carbonyl]amino}propanoyl)oxy]oxan-2-yl}methyl 2-{[(benzyloxy)carbonyl]amino}propanoateFormula:
C61H67O21N5Smiles:
CC(N=C(O)OCc1ccccc1)C(=O)OCC1OC(OC(=O)C(C)N=C(O)OCc2ccccc2)C(OC(=O)C(C)N=C(O)OCc2ccccc2)C(OC(=O)C(C)N=C(O)OCc2ccccc2)C1OC(=O)C(C)N=C(O)OCc1ccccc1Aglycone:
CC(N=C(O)OCc1ccccc1)C(=O)O.CC(N=C(O)OCc1ccccc1)C(=O)O.CC(N=C(O)OCc1ccccc1)C(=O)O.CC(N=C(O)OCc1ccccc1)C(=O)O.COC(=O)C(C)N=C(O)OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.34 |
| AlogP: | 7.13 | Num_rotatable_bonds: | 26 |
| MolWt: | 1206.22 | Num_heavy_atoms: | 87 |
| TPSA: | 349.83 | NumAromaticRings: | 5 |
Unique Aglycone
AD55114
Formula: C11H13O4N
Smiles:
CC(N=C(O)OCc1ccccc1)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 223.23 | Num_heavy_atoms: | 16 |
| TPSA: | 79.12 | NumAromaticRings: | 1 |
AD55115
Formula: C12H15O4N
Smiles:
COC(=O)C(C)N=C(O)OCc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 237.26 | Num_heavy_atoms: | 17 |
| TPSA: | 68.12 | NumAromaticRings: | 1 |
