Glycoside
GD093889
Name:
NoneFormula:
C21H34O9N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC1CCNC2(C[NH2+]C2)C1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.52 | Num_heavy_atoms: | 33 |
| TPSA: | 155.1 | 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 |
AD40478
Formula: C7H16N3
Smiles:
NC1CCNC2(C[NH2+]C2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 142.23 | Num_heavy_atoms: | 10 |
| TPSA: | 54.66 | NumAromaticRings: | 0 |
