Glycoside
GD099062
Name:
NoneFormula:
C21H34O9N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2C[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.[NH3+]C1CC2C[NH2+]CC2C1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]Other Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.51 | Num_heavy_atoms: | 32 |
| TPSA: | 147.65 | 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 |
AD42172
Formula: C7H16N2
Smiles:
[NH3+]C1CC2C[NH2+]CC2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.22 | Num_heavy_atoms: | 9 |
| TPSA: | 44.25 | NumAromaticRings: | 0 |
