Glycoside
GD156377
Name:
NoneFormula:
C57H108O19N2Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCC(C)CAglycone:
CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCC(C)C.COC1(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.95 |
| AlogP: | 5.58 | Num_rotatable_bonds: | 47 |
| MolWt: | 1125.49 | Num_heavy_atoms: | 78 |
| TPSA: | 361.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD46136
Formula: C12H21O10N
Smiles:
COC1(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O1| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 339.3 | Num_heavy_atoms: | 23 |
| TPSA: | 189.5 | NumAromaticRings: | 0 |
AD57012
Formula: C40H81O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCC(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.77 | Num_rotatable_bonds: | 36 |
| MolWt: | 656.09 | Num_heavy_atoms: | 46 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
