Glycoside
GD026388
Name:
NoneFormula:
C15H19O10N3Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(=O)[nH]c(=O)n(C)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Cn1c(=O)[nH]c(=O)[nH]c1=OSugarmoiety:
CC(=O)OC1OOC(O)C1OC(C)=O.COOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 401.33 | Num_heavy_atoms: | 28 |
| TPSA: | 164.99 | NumAromaticRings: | 1 |
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 |
AD17398
Formula: C4H5O3N3
Smiles:
Cn1c(=O)[nH]c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.1 | Num_heavy_atoms: | 10 |
| TPSA: | 87.72 | NumAromaticRings: | 1 |
