Glycoside
GD098984
Name:
NoneFormula:
C20H29O9N4Smiles:
C[NH2+]Cc1cc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ncn1Aglycone:
COC(C)=O.C[NH2+]Cc1cc(N)ncn1Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 469.47 | Num_heavy_atoms: | 33 |
| TPSA: | 168.85 | 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 |
AD42133
Formula: C6H11N4
Smiles:
C[NH2+]Cc1cc(N)ncn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.18 | Num_heavy_atoms: | 10 |
| TPSA: | 68.41 | NumAromaticRings: | 1 |
