Glycoside
GD094953
Name:
NoneFormula:
C22H31O8N3Smiles:
O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]2C1Aglycone:
O=C(NCCc1ccccn1)C1COC2CCNCC2C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 465.5 | Num_heavy_atoms: | 33 |
| TPSA: | 169.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD40579
Formula: C16H23O2N3
Smiles:
O=C(NCCc1ccccn1)C1COC2CCNCC2C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.38 | Num_heavy_atoms: | 21 |
| TPSA: | 63.25 | NumAromaticRings: | 1 |
