Glycoside
GD136041
Name:
glycosylated palythine-threonineFormula:
C24H40O16N2Smiles:
COC1=C(N)CC(O)(COC2C(CO)OC(O)C(O)C2O)CC1=NC(C(=O)O)C(C)OC1C(CO)OC(O)C(O)C1OAglycone:
COC1=C(N)CC(O)(CO)CC1=NC(C(=O)O)C(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.83 |
| AlogP: | -5.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 612.58 | Num_heavy_atoms: | 42 |
| TPSA: | 303.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD54996
Formula: C12H20O6N2
Smiles:
COC1=C(N)CC(O)(CO)CC1=NC(C(=O)O)C(C)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 20 |
| TPSA: | 145.6 | NumAromaticRings: | 0 |
