Glycoside
GD098987
Name:
NoneFormula:
C22H30O10N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(OC3C[NH2+]C3)cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1ccc(OC2C[NH2+]C2)cn1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 496.49 | Num_heavy_atoms: | 35 |
| TPSA: | 165.19 | 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 |
AD42136
Formula: C8H12ON3
Smiles:
Nc1ccc(OC2C[NH2+]C2)cn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.2 | Num_heavy_atoms: | 12 |
| TPSA: | 64.75 | NumAromaticRings: | 1 |
