Glycoside
GD085521
Name:
NoneFormula:
C18H29O10NSmiles:
CCCO[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(=O)OCCAglycone:
CCOC(N)=O.COC(C)=OSugarmoiety:
CCCOC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 419.43 | Num_heavy_atoms: | 29 |
| 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 |
AD13118
Formula: C3H7O2N
Smiles:
CCOC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 89.09 | Num_heavy_atoms: | 6 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
