Glycoside
GD100388
Name:
NoneFormula:
C22H30O10N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2[nH+]c(C)cc(C)c2C(N)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cc1cc(C)c(C(N)=O)c(N)[nH+]1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.49 | Num_heavy_atoms: | 35 |
| TPSA: | 183.69 | 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 |
AD42421
Formula: C8H12ON3
Smiles:
Cc1cc(C)c(C(N)=O)c(N)[nH+]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.2 | Num_heavy_atoms: | 12 |
| TPSA: | 83.25 | NumAromaticRings: | 1 |
