Glycoside
GD100240
Name:
NoneFormula:
C21H35O10NSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H](C)CCOC(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(N)CCOC(C)C.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 461.51 | Num_heavy_atoms: | 32 |
| TPSA: | 135.69 | 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 |
AD25093
Formula: C7H17ON
Smiles:
CC(N)CCOC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 131.22 | Num_heavy_atoms: | 9 |
| TPSA: | 35.25 | NumAromaticRings: | 0 |
