Glycoside
GD095053
Name:
NoneFormula:
C21H29O8N3Smiles:
O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]2O1Aglycone:
O=C(NCCc1ccccn1)C1CC2CCNCC2O1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.48 | Num_heavy_atoms: | 32 |
| TPSA: | 169.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD40603
Formula: C15H21O2N3
Smiles:
O=C(NCCc1ccccn1)C1CC2CCNCC2O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 275.35 | Num_heavy_atoms: | 20 |
| TPSA: | 63.25 | NumAromaticRings: | 1 |
