Glycoside
GD014377
Name:
NoneFormula:
C25H40O12N2Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)[C@H](C)NCCC2OCC(C)(C)CO2)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(NCCC1OCC(C)(C)CO1)C(N)=O.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 560.6 | Num_heavy_atoms: | 39 |
| TPSA: | 174.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD10577
Formula: C11H22O3N2
Smiles:
CC(NCCC1OCC(C)(C)CO1)C(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 230.31 | Num_heavy_atoms: | 16 |
| TPSA: | 73.58 | NumAromaticRings: | 0 |
