Glycoside
GD100390
Name:
NoneFormula:
C20H28O9N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc[nH+]c(CN)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NCc1cc(N)cc[nH+]1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 454.46 | Num_heavy_atoms: | 32 |
| TPSA: | 166.62 | 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 |
AD42423
Formula: C6H10N3
Smiles:
NCc1cc(N)cc[nH+]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.17 | Num_heavy_atoms: | 9 |
| TPSA: | 66.18 | NumAromaticRings: | 1 |
