Glycoside
GD073621
Name:
NoneFormula:
C15H19O9N3Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(N)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1c[nH]c(=O)[nH]c1=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 385.33 | Num_heavy_atoms: | 27 |
| TPSA: | 169.01 | 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 |
AD02435
Formula: C4H5O2N3
Smiles:
Nc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.1 | Num_heavy_atoms: | 9 |
| TPSA: | 91.74 | NumAromaticRings: | 1 |
